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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

enzymes (1) Show 1 protein

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-02-04 09:19:46 UTC

Update Date

2022-03-07 02:51:13 UTC

HMDB ID

HMDB0011669

Secondary Accession Numbers

HMDB11669

Metabolite Identification

Common Name

6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol

Description

6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol belongs to the class of organic compounds known as phosphatidylinositols. These are glycerophosphoinositols where the glycerol is esterified with two fatty acids. Based on a literature review a significant number of articles have been published on 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241201492D          

 41 42  0  0  1  0            999 V2000
   12.7451   -8.5251    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.5491   -8.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9314   -8.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6475   -7.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3518   -8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4233   -7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6612   -7.5359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8640   -8.9519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6119   -8.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4834   -7.4145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2536   -6.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6759   -8.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5524   -9.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   -7.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997   -8.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -8.0718    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7924   -6.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1796   -9.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4136   -6.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4928   -8.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7192   -7.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6302   -6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9970   -8.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1776   -9.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8239   -6.3817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7198   -5.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990   -9.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7147   -5.8086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8898   -5.7498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1736   -5.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5310   -5.0065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3693   -6.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8148   -4.3800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9899   -4.3213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7506   -4.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5797   -6.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2699   -3.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6306   -3.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1402   -7.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3194   -5.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7862   -3.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  1  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  6  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
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 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 12 16  1  0  0  0  0
  1 27  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 28 29  1  0  0  0  0
 28 11  1  6  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  1  0  0  0  0
 33 37  1  1  0  0  0
 34 38  1  6  0  0  0
 36 39  1  0  0  0  0
 36 40  2  0  0  0  0
 37 41  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

HMDB0011669
     RDKit          3D
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
 77 78  0  0  0  0  0  0  0  0999 V2000
   -2.8372   -3.8162   -2.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -2.8794   -1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9228   -3.2688   -1.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4159   -1.5342   -1.3799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2873   -0.5713   -0.7869 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8462   -0.0760    0.5716 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8308    0.8621    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7112    0.5142    1.2894 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5856    1.4220    2.5057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5199    0.9832    3.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    2.8548    2.1517 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4947    3.6182    2.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325    3.0138    0.8986 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3577    4.0937    1.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068    1.8195    0.5953 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3410    1.6638    1.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    0.5267    0.4552 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3771   -0.4857    0.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2468   -0.9747   -1.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791   -0.9963   -0.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   -2.0774   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9672   -1.6132   -0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3363   -1.0144    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6979   -0.6297    0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2774   -0.0465    1.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    0.3403    1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    0.1326    2.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7898   -2.7458   -0.8292 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6153   -2.8346   -1.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886   -4.0135   -2.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841   -1.8687   -2.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0181    0.5403    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7546    0.4196 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1293    2.6142    1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3389    3.8453    0.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6452    1.4543   -0.9780 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8717    2.6371   -1.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5696   -0.9437    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0339    2.3328    1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3007   -2.6751   -1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1187   -0.9242   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7471   -0.0579    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0391   -1.6509    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    1.2063    1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0393    0.5882    2.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594   -0.4976    1.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5368   -3.7268   -1.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3939   -4.3087   -3.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
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 40  5  1  0
 17  8  1  0
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 35 70  1  6
 36 71  1  0
 36 72  1  0
 37 73  1  0
 38 74  1  1
 39 75  1  0
 40 76  1  6
 41 77  1  0
M  END


  Mrv0541 02241201492D          

 41 42  0  0  1  0            999 V2000
   12.7451   -8.5251    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.5491   -8.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9314   -8.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6475   -7.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3518   -8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4233   -7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6612   -7.5359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8640   -8.9519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6119   -8.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4834   -7.4145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2536   -6.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6759   -8.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5524   -9.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2997   -8.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4928   -8.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7192   -7.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9970   -8.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8990   -9.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7147   -5.8086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8898   -5.7498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1736   -5.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5310   -5.0065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3693   -6.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8148   -4.3800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9899   -4.3213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7506   -4.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5797   -6.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2699   -3.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6306   -3.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1402   -7.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3194   -5.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7862   -3.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  1  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  6  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 12 16  1  0  0  0  0
  1 27  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 28 29  1  0  0  0  0
 28 11  1  6  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  1  0  0  0  0
 33 37  1  1  0  0  0
 34 38  1  6  0  0  0
 36 39  1  0  0  0  0
 36 40  2  0  0  0  0
 37 41  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011669

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H36NO18P/c1-7(24)22-12-14(28)13(27)11(4-23)38-21(12)39-19-17(31)15(29)16(30)18(32)20(19)40-41(33,34)36-6-10(37-9(3)26)5-35-8(2)25/h10-21,23,27-32H,4-6H2,1-3H3,(H,22,24)(H,33,34)/t10?,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-/m1/s1

> <INCHI_KEY>
PURMXIZHPMUYNW-DDSODLQFSA-N

> <FORMULA>
C21H36NO18P

> <MOLECULAR_WEIGHT>
621.4802

> <EXACT_MASS>
621.166999865

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
55.07071353992595

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[2,3-bis(acetyloxy)propoxy]({[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.63

> <JCHEM_LOGP>
-6.024671933333334

> <ALOGPS_LOGS>
-1.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.958030399815103

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8331456198286533

> <JCHEM_PKA_STRONGEST_BASIC>
-3.517894930330197

> <JCHEM_POLAR_SURFACE_AREA>
297.53

> <JCHEM_REFRACTIVITY>
125.20259999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.98e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3-bis(acetyloxy)propoxy[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011669
     RDKit          3D
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
 77 78  0  0  0  0  0  0  0  0999 V2000
   -2.8372   -3.8162   -2.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -2.8794   -1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9228   -3.2688   -1.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4159   -1.5342   -1.3799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2873   -0.5713   -0.7869 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8462   -0.0760    0.5716 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8308    0.8621    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7112    0.5142    1.2894 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5856    1.4220    2.5057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5199    0.9832    3.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    2.8548    2.1517 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4947    3.6182    2.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325    3.0138    0.8986 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3577    4.0937    1.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068    1.8195    0.5953 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3410    1.6638    1.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    0.5267    0.4552 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3771   -0.4857    0.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -1.3903   -0.3560 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8263   -2.8605   -0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -0.9747   -1.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791   -0.9963   -0.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   -2.0774   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9672   -1.6132   -0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3363   -1.0144    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6979   -0.6297    0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2774   -0.0465    1.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    0.3403    1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    0.1326    2.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7898   -2.7458   -0.8292 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6153   -2.8346   -1.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886   -4.0135   -2.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841   -1.8687   -2.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0181    0.5403    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7546    0.4196 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1293    2.6142    1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3389    3.8453    0.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6452    1.4543   -0.9780 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8717    2.6371   -1.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6450    0.5809   -1.7028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2799    0.0508   -2.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -4.1320   -3.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -4.7336   -1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -3.3147   -2.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -1.2225   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2663   -1.1012   -0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696   -0.9437    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -0.4973    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016    1.3492    3.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    0.2513    3.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    3.3089    3.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0848    3.4829    2.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    3.2970    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472    4.0372    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    1.9976   -0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    2.3328    1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472    0.3664   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.5941   -2.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -2.6751   -1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -2.7395    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1187   -0.9242   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7471   -0.0579    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0391   -1.6509    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    1.2063    1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0393    0.5882    2.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594   -0.4976    1.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5368   -3.7268   -1.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3939   -4.3087   -3.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662   -4.8613   -1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    2.2879    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    2.7992    2.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0643    2.0373    1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6608    4.5193    0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5889    0.8771   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8917    2.4501   -2.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    1.1359   -2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2513    0.0310   -2.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 24 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
  6 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  5  1  0
 17  8  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  4 45  1  0
  5 46  1  1
  6 47  1  1
  8 48  1  1
  9 49  1  1
 10 50  1  0
 11 51  1  1
 12 52  1  0
 13 53  1  6
 14 54  1  0
 15 55  1  6
 16 56  1  0
 17 57  1  6
 21 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 25 63  1  0
 28 64  1  0
 28 65  1  0
 28 66  1  0
 32 67  1  0
 32 68  1  0
 32 69  1  0
 35 70  1  6
 36 71  1  0
 36 72  1  0
 37 73  1  0
 38 74  1  1
 39 75  1  0
 40 76  1  6
 41 77  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  P   UNK     0      23.791 -15.914   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      25.292 -15.699   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      22.272 -16.127   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      23.609 -14.307   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      26.790 -15.493   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.323 -14.913   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      27.368 -14.067   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      27.746 -16.710   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.809 -15.132   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      28.902 -13.840   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      26.607 -12.450   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      29.262 -16.426   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      27.164 -18.131   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      18.860 -13.917   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      19.226 -16.544   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      29.851 -15.067   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      29.479 -12.509   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      30.202 -17.642   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      19.439 -12.499   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      17.720 -16.762   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      31.209 -14.867   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      17.976 -11.700   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      16.794 -15.709   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      17.132 -18.179   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.471 -11.913   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      18.144 -10.260   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      24.078 -17.511   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      25.601 -10.843   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      24.061 -10.733   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      26.457  -9.564   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      23.391  -9.345   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      23.089 -12.016   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      25.788  -8.176   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      24.248  -8.066   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      21.934  -9.294   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      21.615 -11.844   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      26.637  -6.931   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      23.577  -6.717   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      20.795 -13.174   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      21.130 -10.516   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      25.734  -5.683   0.000  0.00  0.00           O+0
CONECT    1   27    2    3    4                                             
CONECT    2    1    5                                                       
CONECT    3    1    6                                                       
CONECT    4    1                                                            
CONECT    5    2    7    8                                                  
CONECT    6    3    9                                                       
CONECT    7    5   10   11                                                  
CONECT    8    5   12   13                                                  
CONECT    9    6   14   15                                                  
CONECT   10   16   17    7                                                  
CONECT   11    7   28                                                       
CONECT   12   18   16    8                                                  
CONECT   13    8                                                            
CONECT   14   19    9                                                       
CONECT   15   20    9                                                       
CONECT   16   10   21   12                                                  
CONECT   17   10                                                            
CONECT   18   12                                                            
CONECT   19   14   22                                                       
CONECT   20   15   23   24                                                  
CONECT   21   16                                                            
CONECT   22   19   25   26                                                  
CONECT   23   20                                                            
CONECT   24   20                                                            
CONECT   25   22                                                            
CONECT   26   22                                                            
CONECT   27    1                                                            
CONECT   28   29   11   30                                                  
CONECT   29   28   31   32                                                  
CONECT   30   28   33                                                       
CONECT   31   29   34   35                                                  
CONECT   32   29   36                                                       
CONECT   33   30   37   34                                                  
CONECT   34   31   38   33                                                  
CONECT   35   31                                                            
CONECT   36   32   39   40                                                  
CONECT   37   33   41                                                       
CONECT   38   34                                                            
CONECT   39   36                                                            
CONECT   40   36                                                            
CONECT   41   37                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   84    0
END

COMPND    HMDB0011669
HETATM    1  C1  UNL     1      -2.837  -3.816  -2.232  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.783  -2.879  -1.614  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.923  -3.269  -1.292  1.00  0.00           O  
HETATM    4  N1  UNL     1      -3.416  -1.534  -1.380  1.00  0.00           N  
HETATM    5  C3  UNL     1      -4.287  -0.571  -0.787  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.846  -0.076   0.572  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.831   0.862   0.533  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.711   0.514   1.289  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.586   1.422   2.506  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.520   0.983   3.288  1.00  0.00           O  
HETATM   11  C7  UNL     1      -1.362   2.855   2.152  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.495   3.618   2.012  1.00  0.00           O  
HETATM   13  C8  UNL     1      -0.532   3.014   0.899  1.00  0.00           C  
HETATM   14  O5  UNL     1       0.358   4.094   1.077  1.00  0.00           O  
HETATM   15  C9  UNL     1       0.307   1.820   0.595  1.00  0.00           C  
HETATM   16  O6  UNL     1       1.341   1.664   1.549  1.00  0.00           O  
HETATM   17  C10 UNL     1      -0.481   0.527   0.455  1.00  0.00           C  
HETATM   18  O7  UNL     1       0.377  -0.486   0.911  1.00  0.00           O  
HETATM   19  P1  UNL     1       1.045  -1.390  -0.356  1.00  0.00           P  
HETATM   20  O8  UNL     1       0.826  -2.861  -0.105  1.00  0.00           O  
HETATM   21  O9  UNL     1       0.247  -0.975  -1.773  1.00  0.00           O  
HETATM   22  O10 UNL     1       2.679  -0.996  -0.401  1.00  0.00           O  
HETATM   23  C11 UNL     1       3.518  -2.077  -0.603  1.00  0.00           C  
HETATM   24  C12 UNL     1       4.967  -1.613  -0.623  1.00  0.00           C  
HETATM   25  C13 UNL     1       5.336  -1.014   0.717  1.00  0.00           C  
HETATM   26  O11 UNL     1       6.698  -0.630   0.730  1.00  0.00           O  
HETATM   27  C14 UNL     1       7.277  -0.046   1.844  1.00  0.00           C  
HETATM   28  C15 UNL     1       8.715   0.340   1.803  1.00  0.00           C  
HETATM   29  O12 UNL     1       6.557   0.133   2.853  1.00  0.00           O  
HETATM   30  O13 UNL     1       5.790  -2.746  -0.829  1.00  0.00           O  
HETATM   31  C16 UNL     1       6.615  -2.835  -1.959  1.00  0.00           C  
HETATM   32  C17 UNL     1       7.489  -4.013  -2.202  1.00  0.00           C  
HETATM   33  O14 UNL     1       6.584  -1.869  -2.762  1.00  0.00           O  
HETATM   34  O15 UNL     1      -5.018   0.540   1.104  1.00  0.00           O  
HETATM   35  C18 UNL     1      -5.135   1.755   0.420  1.00  0.00           C  
HETATM   36  C19 UNL     1      -6.129   2.614   1.166  1.00  0.00           C  
HETATM   37  O16 UNL     1      -6.339   3.845   0.593  1.00  0.00           O  
HETATM   38  C20 UNL     1      -5.645   1.454  -0.978  1.00  0.00           C  
HETATM   39  O17 UNL     1      -5.872   2.637  -1.679  1.00  0.00           O  
HETATM   40  C21 UNL     1      -4.645   0.581  -1.703  1.00  0.00           C  
HETATM   41  O18 UNL     1      -5.280   0.051  -2.823  1.00  0.00           O  
HETATM   42  H1  UNL     1      -3.214  -4.132  -3.245  1.00  0.00           H  
HETATM   43  H2  UNL     1      -2.663  -4.734  -1.653  1.00  0.00           H  
HETATM   44  H3  UNL     1      -1.851  -3.315  -2.449  1.00  0.00           H  
HETATM   45  H4  UNL     1      -2.463  -1.223  -1.653  1.00  0.00           H  
HETATM   46  H5  UNL     1      -5.266  -1.101  -0.587  1.00  0.00           H  
HETATM   47  H6  UNL     1      -3.570  -0.944   1.179  1.00  0.00           H  
HETATM   48  H7  UNL     1      -1.934  -0.497   1.729  1.00  0.00           H  
HETATM   49  H8  UNL     1      -2.502   1.349   3.117  1.00  0.00           H  
HETATM   50  H9  UNL     1      -0.741   0.251   3.897  1.00  0.00           H  
HETATM   51  H10 UNL     1      -0.776   3.309   3.003  1.00  0.00           H  
HETATM   52  H11 UNL     1      -3.085   3.483   2.803  1.00  0.00           H  
HETATM   53  H12 UNL     1      -1.149   3.297   0.024  1.00  0.00           H  
HETATM   54  H13 UNL     1       1.147   4.037   0.480  1.00  0.00           H  
HETATM   55  H14 UNL     1       0.820   1.998  -0.368  1.00  0.00           H  
HETATM   56  H15 UNL     1       2.034   2.333   1.289  1.00  0.00           H  
HETATM   57  H16 UNL     1      -0.647   0.366  -0.613  1.00  0.00           H  
HETATM   58  H17 UNL     1       0.837  -0.594  -2.470  1.00  0.00           H  
HETATM   59  H18 UNL     1       3.301  -2.675  -1.494  1.00  0.00           H  
HETATM   60  H19 UNL     1       3.417  -2.739   0.281  1.00  0.00           H  
HETATM   61  H20 UNL     1       5.119  -0.924  -1.452  1.00  0.00           H  
HETATM   62  H21 UNL     1       4.747  -0.058   0.820  1.00  0.00           H  
HETATM   63  H22 UNL     1       5.039  -1.651   1.561  1.00  0.00           H  
HETATM   64  H23 UNL     1       8.908   1.206   1.140  1.00  0.00           H  
HETATM   65  H24 UNL     1       9.039   0.588   2.825  1.00  0.00           H  
HETATM   66  H25 UNL     1       9.359  -0.498   1.442  1.00  0.00           H  
HETATM   67  H26 UNL     1       8.537  -3.727  -1.966  1.00  0.00           H  
HETATM   68  H27 UNL     1       7.394  -4.309  -3.261  1.00  0.00           H  
HETATM   69  H28 UNL     1       7.166  -4.861  -1.585  1.00  0.00           H  
HETATM   70  H29 UNL     1      -4.180   2.288   0.298  1.00  0.00           H  
HETATM   71  H30 UNL     1      -5.681   2.799   2.185  1.00  0.00           H  
HETATM   72  H31 UNL     1      -7.064   2.037   1.285  1.00  0.00           H  
HETATM   73  H32 UNL     1      -5.661   4.519   0.829  1.00  0.00           H  
HETATM   74  H33 UNL     1      -6.589   0.877  -0.907  1.00  0.00           H  
HETATM   75  H34 UNL     1      -5.892   2.450  -2.664  1.00  0.00           H  
HETATM   76  H35 UNL     1      -3.738   1.136  -2.017  1.00  0.00           H  
HETATM   77  H36 UNL     1      -6.251   0.031  -2.758  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3    3    4
CONECT    4    5   45
CONECT    5    6   40   46
CONECT    6    7   34   47
CONECT    7    8
CONECT    8    9   17   48
CONECT    9   10   11   49
CONECT   10   50
CONECT   11   12   13   51
CONECT   12   52
CONECT   13   14   15   53
CONECT   14   54
CONECT   15   16   17   55
CONECT   16   56
CONECT   17   18   57
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   58
CONECT   22   23
CONECT   23   24   59   60
CONECT   24   25   30   61
CONECT   25   26   62   63
CONECT   26   27
CONECT   27   28   29   29
CONECT   28   64   65   66
CONECT   30   31
CONECT   31   32   33   33
CONECT   32   67   68   69
CONECT   34   35
CONECT   35   36   38   70
CONECT   36   37   71   72
CONECT   37   73
CONECT   38   39   40   74
CONECT   39   75
CONECT   40   41   76
CONECT   41   77
END

HMDB0011669
     RDKit          3D
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
 77 78  0  0  0  0  0  0  0  0999 V2000
   -2.8372   -3.8162   -2.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -2.8794   -1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9228   -3.2688   -1.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4159   -1.5342   -1.3799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2873   -0.5713   -0.7869 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8462   -0.0760    0.5716 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8308    0.8621    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7112    0.5142    1.2894 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5856    1.4220    2.5057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5199    0.9832    3.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    2.8548    2.1517 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4947    3.6182    2.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325    3.0138    0.8986 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3577    4.0937    1.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068    1.8195    0.5953 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3410    1.6638    1.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    0.5267    0.4552 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3771   -0.4857    0.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -1.3903   -0.3560 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8263   -2.8605   -0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -0.9747   -1.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791   -0.9963   -0.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   -2.0774   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9672   -1.6132   -0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3363   -1.0144    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6979   -0.6297    0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2774   -0.0465    1.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    0.3403    1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    0.1326    2.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7898   -2.7458   -0.8292 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6153   -2.8346   -1.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886   -4.0135   -2.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841   -1.8687   -2.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0181    0.5403    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7546    0.4196 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1293    2.6142    1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3389    3.8453    0.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6452    1.4543   -0.9780 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8717    2.6371   -1.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6450    0.5809   -1.7028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2799    0.0508   -2.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -4.1320   -3.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -4.7336   -1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -3.3147   -2.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -1.2225   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2663   -1.1012   -0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696   -0.9437    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -0.4973    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016    1.3492    3.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    0.2513    3.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    3.3089    3.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0848    3.4829    2.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    3.2970    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472    4.0372    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    1.9976   -0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    2.3328    1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472    0.3664   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.5941   -2.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -2.6751   -1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -2.7395    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1187   -0.9242   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7471   -0.0579    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0391   -1.6509    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    1.2063    1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0393    0.5882    2.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594   -0.4976    1.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5368   -3.7268   -1.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3939   -4.3087   -3.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662   -4.8613   -1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    2.2879    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    2.7992    2.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0643    2.0373    1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6608    4.5193    0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5889    0.8771   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8917    2.4501   -2.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    1.1359   -2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2513    0.0310   -2.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 24 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
  6 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  5  1  0
 17  8  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  4 45  1  0
  5 46  1  1
  6 47  1  1
  8 48  1  1
  9 49  1  1
 10 50  1  0
 11 51  1  1
 12 52  1  0
 13 53  1  6
 14 54  1  0
 15 55  1  6
 16 56  1  0
 17 57  1  6
 21 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 25 63  1  0
 28 64  1  0
 28 65  1  0
 28 66  1  0
 32 67  1  0
 32 68  1  0
 32 69  1  0
 35 70  1  6
 36 71  1  0
 36 72  1  0
 37 73  1  0
 38 74  1  1
 39 75  1  0
 40 76  1  6
 41 77  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6-(N-Acetyl-a-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	Generator
6-(N-Acetyl-α-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	Generator
N-Acetyl-D-glucosaminylphosphatidylinositol	HMDB
N-[(2R,3R,4R,5S,6R)-2-{[(1R,2R,3R,4R,5R,6S)-2-({[2,3-bis(acetyloxy)propoxy](hydroxy)phosphoryl}oxy)-3,4,5,6-tetrahydroxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidate	Generator, HMDB

Chemical Formula

C₂₁H₃₆NO₁₈P

Average Molecular Weight

621.4802

Monoisotopic Molecular Weight

621.166999865

IUPAC Name

[2,3-bis(acetyloxy)propoxy]({[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy})phosphinic acid

Traditional Name

2,3-bis(acetyloxy)propoxy[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxyphosphinic acid

CAS Registry Number

Not Available

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O

InChI Identifier

InChI=1S/C21H36NO18P/c1-7(24)22-12-14(28)13(27)11(4-23)38-21(12)39-19-17(31)15(29)16(30)18(32)20(19)40-41(33,34)36-6-10(37-9(3)26)5-35-8(2)25/h10-21,23,27-32H,4-6H2,1-3H3,(H,22,24)(H,33,34)/t10?,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-/m1/s1

InChI Key

PURMXIZHPMUYNW-DDSODLQFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phosphatidylinositols. These are glycerophosphoinositols where the glycerol is esterified with two fatty acids.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositols

Direct Parent

Phosphatidylinositols

Alternative Parents

Substituents

Diacylglycerophosphoinositol
Inositol phosphate
N-acyl-alpha-hexosamine
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Monosaccharide phosphate
Cyclohexanol
Dialkyl phosphate
Cyclitol or derivatives
Dicarboxylic acid or derivatives
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Alkyl phosphate
Acetamide
Cyclic alcohol
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Carboxylic acid ester
Carboxylic acid derivative
Polyol
Organoheterocyclic compound
Acetal
Oxacycle
Alcohol
Organic nitrogen compound
Carbonyl group
Primary alcohol
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Organoleptic effect

Touch

Smooth (HMDB: HMDB0011669)

Disposition

Biological location

Cell membrane (HMDB: HMDB0011669)
Intracellular membrane (HMDB: HMDB0011669)

Biofluid or Excreta

Blood (HMDB: HMDB0011669)

Cellular substructure

Extracellular (HMDB: HMDB0011669)
Membrane (HMDB: HMDB0011669)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0011669)

Source

Endogenous

Endogenous (HMDB: HMDB0011669)

Animal

Animal (HMDB: HMDB0011669)

Exogenous

Food

Food (HMDB: HMDB0011669)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0011669)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0011669)

Cellular process

Cell signaling (HMDB: HMDB0011669)

Biochemical pathway

Glycerophospholipid metabolism (HMDB: HMDB0011669)

Role

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	19.8 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-6	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.83	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	297.53 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	125.2 m³·mol⁻¹	ChemAxon
Polarizability	55.07 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	221.212	30932474
DeepCCS	[M-H]-	219.3	30932474
DeepCCS	[M-2H]-	253.332	30932474
DeepCCS	[M+Na]+	227.497	30932474
AllCCS	[M+H]+	228.9	32859911
AllCCS	[M+H-H2O]+	228.1	32859911
AllCCS	[M+NH4]+	229.7	32859911
AllCCS	[M+Na]+	229.9	32859911
AllCCS	[M-H]-	232.3	32859911
AllCCS	[M+Na-2H]-	234.1	32859911
AllCCS	[M+HCOO]-	236.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O	4614.0	Standard polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O	3746.4	Standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O	4537.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3942.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3957.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3939.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3945.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3947.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3945.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3946.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4011.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TMS,isomer #9	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	4006.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3857.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3878.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3880.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #12	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3874.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #13	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3879.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #14	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3919.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #15	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3913.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3838.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3851.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #18	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3851.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #19	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3838.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3863.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #20	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3883.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #21	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3904.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #22	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3869.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #23	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3880.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #24	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3866.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #25	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3895.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #26	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3906.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #27	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3867.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #28	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3872.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #29	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3905.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3865.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #30	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)OC(C)=O	3902.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #31	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3876.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #32	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3903.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #33	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)OC(C)=O	3903.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #34	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3897.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #35	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)OC(C)=O	3905.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #36	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)OC(C)=O	3963.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3855.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3855.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3861.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3897.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #8	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3913.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #9	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3873.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3850.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3853.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3847.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #12	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3872.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #13	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)OC(C)=O	3852.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #14	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3853.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #15	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3854.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3850.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3876.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #18	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)OC(C)=O	3858.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #19	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3835.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3857.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #20	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3832.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #21	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3857.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #22	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)OC(C)=O	3847.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #23	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3842.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #24	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3861.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #25	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3842.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #26	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3860.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #27	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3859.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #28	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)OC(C)=O	3879.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #29	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3857.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3845.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #30	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3867.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #31	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3853.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #32	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3848.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #33	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3868.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #34	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3835.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #35	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3862.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #36	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3858.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #37	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3859.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #38	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3882.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #39	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)OC(C)=O	3832.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3840.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #40	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3861.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #41	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3861.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #42	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3885.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #43	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)OC(C)=O	3840.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #44	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3845.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #45	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3868.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #46	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)OC(C)=O	3834.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #47	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3875.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #48	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3843.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #49	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)OC(C)=O	3873.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3836.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #50	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3835.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #51	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3852.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #52	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3833.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #53	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3845.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #54	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3828.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #55	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3845.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #56	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3843.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #57	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3858.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #58	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)OC(C)=O	3834.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #59	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3838.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3858.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #60	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3861.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #61	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)OC(C)=O	3840.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #62	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3844.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #63	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)OC(C)=O	3831.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #64	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)OC(C)=O	3855.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #65	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3852.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #66	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3860.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #67	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3870.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #68	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)OC(C)=O	3851.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #69	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	3852.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #7	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	3853.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #70	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3884.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #71	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)OC(C)=O	3857.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #72	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3868.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #73	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)OC(C)=O	3852.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #74	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)OC(C)=O	3865.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #75	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3864.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #76	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3873.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #77	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)OC(C)=O	3839.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #78	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3876.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #79	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)OC(C)=O	3840.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3856.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #80	CC(=O)OCC(COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)O[Si](C)(C)C)OC(C)=O	3870.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #81	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3875.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #82	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC(C)=O	3857.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #83	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C)OC(C)=O	3876.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #84	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)OC(C)=O	3864.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #9	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3850.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4151.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4165.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4148.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4147.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4159.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4155.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4147.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4193.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,1TBDMS,isomer #9	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	4214.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4268.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4292.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4294.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #12	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4278.2	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #13	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4281.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #14	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4302.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #15	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	4329.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4257.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4276.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #18	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4277.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #19	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4258.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4283.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #20	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4277.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #21	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	4317.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #22	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4278.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #23	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4296.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #24	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4279.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #25	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4282.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #26	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	4316.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #27	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4279.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #28	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OCC(COC(C)=O)OC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4286.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #29	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4305.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4285.8	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #30	CC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)OC(C)=O	4329.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #31	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4289.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #32	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4304.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #33	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC(C)=O	4331.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #34	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4284.9	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #35	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC(C)=O	4319.3	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #36	CC(=O)OCC(COP(=O)(O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C)OC(C)=O	4359.5	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4268.6	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4269.1	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4263.4	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OCC(COC(C)=O)OC(C)=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4291.0	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #8	CC(=O)OCC(COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O	4329.7	Semi standard non polar	33892256
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #9	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCC(COC(C)=O)OC(C)=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4277.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (1 TMS) - 70eV, Positive	splash10-003r-5220039000-ff52befc090196f05b69	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 10V, Positive-QTOF	splash10-0w9a-3940577000-3740459923a9d748dd37	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 20V, Positive-QTOF	splash10-0ir1-3950622000-6582b4df6625b2e01c1c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 40V, Positive-QTOF	splash10-0006-9253120000-59ae33398fd662e6497b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 10V, Negative-QTOF	splash10-00di-1000298000-dced7c919985d0c62294	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 20V, Negative-QTOF	splash10-0aor-7023090000-98d590f78ba05b03b6c1	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 40V, Negative-QTOF	splash10-0a6u-9200030000-a7f8fd5a1051aaf7b9c7	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028358

KNApSAcK ID

Not Available

Chemspider ID

35032084

KEGG Compound ID

C01288

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481019

PDB ID

Not Available

ChEBI ID

12194

Food Biomarker Ontology

Not Available

VMH ID

ACGPAIL_HS

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
Majerus PW, Ross TS, Cunningham TW, Caldwell KK, Jefferson AB, Bansal VS: Recent insights in phosphatidylinositol signaling. Cell. 1990 Nov 2;63(3):459-65. [PubMed:2225061 ]
Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Enzymes

Enzyme Details

1. Phosphatidylinositol N-acetylglucosaminyltransferase subunit A

General function:: Involved in biosynthetic process
Specific function:: Necessary for the synthesis of N-acetylglucosaminyl-phosphatidylinositol, the very early intermediate in GPI-anchor biosynthesis.
Gene Name:: PIGA
Uniprot ID:: P37287
Molecular weight:: 54126.065

Showing metabocard for 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol (HMDB0011669)

MOL for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D MOL for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D SDF for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D-SDF for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

PDB for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D PDB for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

SMILES for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

INCHI for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

Structure for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D Structure for HMDB0011669 (6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes