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Showing metabocard for Biocytin (HMDB0003134)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (2) Show 2 proteinsXML
enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-05-22 15:12:35 UTC
Update Date2021-09-14 15:19:03 UTC
HMDB IDHMDB0003134
Secondary Accession Numbers
  • HMDB03134
Metabolite Identification
Common NameBiocytin
DescriptionBiocytin is a naturally occurring low molecular weight analog of biotin, and a primary source of this essential metabolite for mammals. Biotinidase acts as a hydrolase by cleaving biocytin and biotinyl-peptides, thereby liberating biotin for reutilization. Mammals cannot synthesize biotin and, therefore, derive the vitamin from dietary sources or from the endogenous turnover of the carboxylases. Free biotin can readily enter the biotin pool, whereas holocarboxylases or other biotin-containing proteins must first be degraded proteolytically to biocytin (biotinyl-e-lysine) or biotinyl-peptides. Biocytin is also an especially versatile marker for neuroanatomical investigations, shown that may have multiple applications, especially for labeling neurons. (PMID:8930409 , 1384763 , 2479450 ).
Structure
Data?1582752264
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003134 (Biocytin)


  Mrv1652305271900042D          

 27 28  0  0  1  0            999 V2000
   20.4033  -16.6311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.5597   -9.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8544  -10.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7543  -12.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0465  -16.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1126  -13.1041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9451   -9.7972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3564  -15.9636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3564  -17.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4961  -10.4112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.3688  -12.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2398  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1761  -12.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4325  -11.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9853  -15.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2417  -14.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1780  -15.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0490  -14.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9218  -15.9672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1411  -16.2186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1411  -17.0436    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.9218  -17.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3034  -10.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3053  -13.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8715  -16.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1420  -15.5586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1420  -17.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
 10  7  1  6  0  0  0
  8 20  1  0  0  0  0
  8 25  1  0  0  0  0
  9 21  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 17  1  6  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  1  0  0  0
 21 22  1  0  0  0  0
 21 27  1  1  0  0  0
M  END
Download

3D MOL for HMDB0003134 (Biocytin)

HMDB0003134
     RDKit          3D
Biocytin
 53 54  0  0  0  0  0  0  0  0999 V2000
    6.8154    2.4123    1.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7651    1.4195    0.8819 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2941    1.8636   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    0.9503   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765    1.4861   -2.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.7967   -3.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516    0.5973   -2.6338 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -0.1888   -1.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407   -0.8522   -0.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.2617   -1.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009   -1.1606    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548   -1.2583    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455    0.0490    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0329    0.0707    1.3161 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3334   -0.9297    2.8327 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1215   -1.2470    2.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3675   -0.4408    1.2758 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2323   -1.2502    0.4301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3907   -2.2970   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7935   -3.2832   -0.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0284   -1.9774    0.3223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0740   -0.5346    0.4412 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4125    0.0827    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742   -0.0320    0.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156   -1.0383    0.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805    3.3371    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5736    2.2721    0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    1.4297    1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9464    2.9070   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1639    1.8249   -1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    1.1740   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4342   -0.0948   -0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5461    2.5904   -2.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263    1.4957   -2.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577   -0.2248   -3.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885    1.3450   -4.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    1.1077   -3.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859    0.7659   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746   -0.6351   -2.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -2.2024   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -0.9084    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -2.0394    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5568   -1.6371   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741    0.8377    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9999    0.4284    1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3739    1.1245    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7344   -0.8899    3.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2169   -2.3219    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7024    0.5766    1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2410   -1.1012    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3335   -2.7034    0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2730   -0.0717   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428   -1.3630    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
  2 23  1  0
 23 24  2  0
 23 25  1  0
 22 14  1  0
 22 17  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  1
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  1
 16 47  1  0
 16 48  1  0
 17 49  1  1
 18 50  1  0
 21 51  1  0
 22 52  1  6
 25 53  1  0
M  END
Download

3D SDF for HMDB0003134 (Biocytin)


  Mrv1652305271900042D          

 27 28  0  0  1  0            999 V2000
   20.4033  -16.6311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.5597   -9.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8544  -10.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7543  -12.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0465  -16.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1126  -13.1041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9451   -9.7972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3564  -15.9636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3564  -17.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4961  -10.4112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.3688  -12.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2398  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1761  -12.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4325  -11.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9853  -15.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2417  -14.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1780  -15.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0490  -14.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9218  -15.9672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1411  -16.2186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1411  -17.0436    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.9218  -17.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3034  -10.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3053  -13.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8715  -16.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1420  -15.5586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1420  -17.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
 10  7  1  6  0  0  0
  8 20  1  0  0  0  0
  8 25  1  0  0  0  0
  9 21  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 17  1  6  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  1  0  0  0
 21 22  1  0  0  0  0
 21 27  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0003134

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2

> <INCHI_IDENTIFIER>
InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1

> <INCHI_KEY>
BAQMYDQNMFBZNA-MNXVOIDGSA-N

> <FORMULA>
C16H28N4O4S

> <MOLECULAR_WEIGHT>
372.483

> <EXACT_MASS>
372.183126094

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
40.192808701720296

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid

> <ALOGPS_LOGP>
-0.69

> <JCHEM_LOGP>
-2.611380743765175

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.492614246310058

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.2426913467136878

> <JCHEM_PKA_STRONGEST_BASIC>
9.526483526234571

> <JCHEM_POLAR_SURFACE_AREA>
133.54999999999998

> <JCHEM_REFRACTIVITY>
94.6605

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.73e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0003134 (Biocytin)

HMDB0003134
     RDKit          3D
Biocytin
 53 54  0  0  0  0  0  0  0  0999 V2000
    6.8154    2.4123    1.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7651    1.4195    0.8819 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2941    1.8636   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    0.9503   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765    1.4861   -2.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.7967   -3.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516    0.5973   -2.6338 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -0.1888   -1.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407   -0.8522   -0.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.2617   -1.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009   -1.1606    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548   -1.2583    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455    0.0490    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0329    0.0707    1.3161 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3334   -0.9297    2.8327 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1215   -1.2470    2.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3675   -0.4408    1.2758 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2323   -1.2502    0.4301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3907   -2.2970   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7935   -3.2832   -0.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0284   -1.9774    0.3223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0740   -0.5346    0.4412 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4125    0.0827    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742   -0.0320    0.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156   -1.0383    0.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805    3.3371    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5736    2.2721    0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    1.4297    1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9464    2.9070   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1639    1.8249   -1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    1.1740   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4342   -0.0948   -0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5461    2.5904   -2.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263    1.4957   -2.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577   -0.2248   -3.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885    1.3450   -4.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    1.1077   -3.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859    0.7659   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746   -0.6351   -2.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -2.2024   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -0.9084    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -2.0394    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5568   -1.6371   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741    0.8377    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9999    0.4284    1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3739    1.1245    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7344   -0.8899    3.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2169   -2.3219    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7024    0.5766    1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2410   -1.1012    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3335   -2.7034    0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2730   -0.0717   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428   -1.3630    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
  2 23  1  0
 23 24  2  0
 23 25  1  0
 22 14  1  0
 22 17  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  1
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  1
 16 47  1  0
 16 48  1  0
 17 49  1  1
 18 50  1  0
 21 51  1  0
 22 52  1  6
 25 53  1  0
M  END
Download

PDB for HMDB0003134 (Biocytin)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  S   UNK     0      38.086 -31.045   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0      49.578 -17.653   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      50.128 -20.263   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      40.608 -23.632   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      31.820 -31.045   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      43.144 -24.461   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      46.564 -18.288   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      34.265 -29.799   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      34.265 -32.291   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      47.593 -19.434   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      43.622 -22.997   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      47.114 -20.898   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      45.129 -22.680   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      45.607 -21.216   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      39.173 -28.024   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      39.651 -26.560   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      37.666 -28.342   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      41.158 -26.242   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.187 -29.805   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      35.730 -30.275   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      35.730 -31.815   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      37.187 -32.284   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      49.100 -19.117   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      41.637 -24.779   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      33.360 -31.045   0.000  0.00  0.00           C+0
HETATM   26  H   UNK     0      35.732 -29.043   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0      35.732 -33.047   0.000  0.00  0.00           H+0
CONECT    1   19   22                                                       
CONECT    2   23                                                            
CONECT    3   23                                                            
CONECT    4   24                                                            
CONECT    5   25                                                            
CONECT    6   11   24                                                       
CONECT    7   10                                                            
CONECT    8   20   25                                                       
CONECT    9   21   25                                                       
CONECT   10    7   12   23                                                  
CONECT   11    6   13                                                       
CONECT   12   10   14                                                       
CONECT   13   11   14                                                       
CONECT   14   12   13                                                       
CONECT   15   16   17                                                       
CONECT   16   15   18                                                       
CONECT   17   15   19                                                       
CONECT   18   16   24                                                       
CONECT   19    1   17   20                                                  
CONECT   20    8   19   21   26                                             
CONECT   21    9   20   22   27                                             
CONECT   22    1   21                                                       
CONECT   23    2    3   10                                                  
CONECT   24    4    6   18                                                  
CONECT   25    5    8    9                                                  
CONECT   26   20                                                            
CONECT   27   21                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END
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3D PDB for HMDB0003134 (Biocytin)

COMPND    HMDB0003134
HETATM    1  N1  UNL     1       6.815   2.412   1.244  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.765   1.419   0.882  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.294   1.864  -0.476  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.178   0.950  -1.018  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.776   1.486  -2.343  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.756   0.797  -3.138  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.452   0.597  -2.634  1.00  0.00           N  
HETATM    8  C6  UNL     1       1.031  -0.189  -1.546  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.841  -0.852  -0.878  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.421  -0.262  -1.140  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.601  -1.161   0.039  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.055  -1.258   0.450  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.645   0.049   0.844  1.00  0.00           C  
HETATM   14  C11 UNL     1      -4.033   0.071   1.316  1.00  0.00           C  
HETATM   15  S1  UNL     1      -4.333  -0.930   2.833  1.00  0.00           S  
HETATM   16  C12 UNL     1      -6.122  -1.247   2.531  1.00  0.00           C  
HETATM   17  C13 UNL     1      -6.367  -0.441   1.276  1.00  0.00           C  
HETATM   18  N3  UNL     1      -7.232  -1.250   0.430  1.00  0.00           N  
HETATM   19  C14 UNL     1      -6.391  -2.297  -0.070  1.00  0.00           C  
HETATM   20  O2  UNL     1      -6.794  -3.283  -0.719  1.00  0.00           O  
HETATM   21  N4  UNL     1      -5.028  -1.977   0.322  1.00  0.00           N  
HETATM   22  C15 UNL     1      -5.074  -0.535   0.441  1.00  0.00           C  
HETATM   23  C16 UNL     1       6.412   0.083   0.778  1.00  0.00           C  
HETATM   24  O3  UNL     1       7.674  -0.032   0.806  1.00  0.00           O  
HETATM   25  O4  UNL     1       5.616  -1.038   0.653  1.00  0.00           O  
HETATM   26  H1  UNL     1       6.381   3.337   1.020  1.00  0.00           H  
HETATM   27  H2  UNL     1       7.574   2.272   0.517  1.00  0.00           H  
HETATM   28  H3  UNL     1       4.954   1.430   1.627  1.00  0.00           H  
HETATM   29  H4  UNL     1       4.946   2.907  -0.469  1.00  0.00           H  
HETATM   30  H5  UNL     1       6.164   1.825  -1.166  1.00  0.00           H  
HETATM   31  H6  UNL     1       3.331   1.174  -0.300  1.00  0.00           H  
HETATM   32  H7  UNL     1       4.434  -0.095  -0.995  1.00  0.00           H  
HETATM   33  H8  UNL     1       3.546   2.590  -2.239  1.00  0.00           H  
HETATM   34  H9  UNL     1       4.726   1.496  -2.973  1.00  0.00           H  
HETATM   35  H10 UNL     1       3.158  -0.225  -3.412  1.00  0.00           H  
HETATM   36  H11 UNL     1       2.689   1.345  -4.128  1.00  0.00           H  
HETATM   37  H12 UNL     1       0.624   1.108  -3.129  1.00  0.00           H  
HETATM   38  H13 UNL     1      -0.786   0.766  -0.957  1.00  0.00           H  
HETATM   39  H14 UNL     1      -0.975  -0.635  -2.025  1.00  0.00           H  
HETATM   40  H15 UNL     1      -0.313  -2.202  -0.276  1.00  0.00           H  
HETATM   41  H16 UNL     1       0.057  -0.908   0.886  1.00  0.00           H  
HETATM   42  H17 UNL     1      -2.160  -2.039   1.216  1.00  0.00           H  
HETATM   43  H18 UNL     1      -2.557  -1.637  -0.509  1.00  0.00           H  
HETATM   44  H19 UNL     1      -2.474   0.838   0.057  1.00  0.00           H  
HETATM   45  H20 UNL     1      -2.000   0.428   1.701  1.00  0.00           H  
HETATM   46  H21 UNL     1      -4.374   1.124   1.523  1.00  0.00           H  
HETATM   47  H22 UNL     1      -6.734  -0.890   3.358  1.00  0.00           H  
HETATM   48  H23 UNL     1      -6.217  -2.322   2.311  1.00  0.00           H  
HETATM   49  H24 UNL     1      -6.702   0.577   1.432  1.00  0.00           H  
HETATM   50  H25 UNL     1      -8.241  -1.101   0.232  1.00  0.00           H  
HETATM   51  H26 UNL     1      -4.334  -2.703   0.451  1.00  0.00           H  
HETATM   52  H27 UNL     1      -5.273  -0.072  -0.508  1.00  0.00           H  
HETATM   53  H28 UNL     1       5.043  -1.363   1.426  1.00  0.00           H  
CONECT    1    2   26   27
CONECT    2    3   23   28
CONECT    3    4   29   30
CONECT    4    5   31   32
CONECT    5    6   33   34
CONECT    6    7   35   36
CONECT    7    8   37
CONECT    8    9    9   10
CONECT   10   11   38   39
CONECT   11   12   40   41
CONECT   12   13   42   43
CONECT   13   14   44   45
CONECT   14   15   22   46
CONECT   15   16
CONECT   16   17   47   48
CONECT   17   18   22   49
CONECT   18   19   50
CONECT   19   20   20   21
CONECT   21   22   51
CONECT   22   52
CONECT   23   24   24   25
CONECT   25   53
END
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SMILES for HMDB0003134 (Biocytin)

[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2
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INCHI for HMDB0003134 (Biocytin)

InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(3AS-(3aalpha,4beta,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysineChEBI
Biotinyl-L-lysineChEBI
epsilon-N-Biotinyl-L-lysineChEBI
epsilon-N-BiotinyllysineChEBI
N(epsilon)-Biotinyl-L-lysineChEBI
N-Biotinyl-L-lysineChEBI
N6-D-Biotinyl-L-lysineChEBI
N(6)-D-Biotinyl-L-lysineChEBI
(3AS-(3aalpha,4b,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysineGenerator
(3AS-(3aalpha,4β,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysineGenerator
H-Lys(biotinyl)-OHHMDB
N-epsilon-Biotin-L-lysineHMDB
N6-delta-Biotinyl-L-lysineHMDB
Ne-biotynyl-L-lysineHMDB
Chemical FormulaC16H28N4O4S
Average Molecular Weight372.483
Monoisotopic Molecular Weight372.183126094
IUPAC Name(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid
Traditional Name(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid
CAS Registry Number576-19-2
SMILES
[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2
InChI Identifier
InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
InChI KeyBAQMYDQNMFBZNA-MNXVOIDGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Imidazolyl carboxylic acid derivative
  • Medium-chain fatty acid
  • Heterocyclic fatty acid
  • Fatty acid
  • Fatty acyl
  • Thiolane
  • 2-imidazoline
  • Amino acid
  • Isourea
  • Azacycle
  • Carboximidic acid
  • Carboximidic acid derivative
  • Organoheterocyclic compound
  • Dialkylthioether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Carboxylic acid
  • Thioether
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organic oxygen compound
  • Primary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Amine
  • Carbonyl group
  • Hydrocarbon derivative
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point243 - 246 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+MetCCS_train_pos186.77530932474
[M-H]-Not Available184.346http://allccs.zhulab.cn/database/detail?ID=AllCCS00000054
[M+H]+Not Available187.239http://allccs.zhulab.cn/database/detail?ID=AllCCS00000054
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.17 g/LALOGPS
logP-0.69ALOGPS
logP-2.6ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)2.24ChemAxon
pKa (Strongest Basic)9.53ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area133.55 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity94.66 m³·mol⁻¹ChemAxon
Polarizability40.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+188.25231661259
DarkChem[M-H]-184.06631661259
DeepCCS[M-2H]-225.88230932474
DeepCCS[M+Na]+202.17230932474
AllCCS[M+H]+184.732859911
AllCCS[M+H-H2O]+182.532859911
AllCCS[M+NH4]+186.732859911
AllCCS[M+Na]+187.332859911
AllCCS[M-H]-187.332859911
AllCCS[M+Na-2H]-187.932859911
AllCCS[M+HCOO]-188.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Biocytin[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N25103.3Standard polar33892256
Biocytin[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N23556.4Standard non polar33892256
Biocytin[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N23971.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Biocytin,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]123661.9Semi standard non polar33892256
Biocytin,1TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O3753.2Semi standard non polar33892256
Biocytin,1TMS,isomer #3C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]123726.2Semi standard non polar33892256
Biocytin,1TMS,isomer #4C[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]213718.9Semi standard non polar33892256
Biocytin,1TMS,isomer #5C[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)SC[C@@H]213726.5Semi standard non polar33892256
Biocytin,2TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O[Si](C)(C)C3737.9Semi standard non polar33892256
Biocytin,2TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O[Si](C)(C)C3356.1Standard non polar33892256
Biocytin,2TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O[Si](C)(C)C6775.8Standard polar33892256
Biocytin,2TMS,isomer #10C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]123671.9Semi standard non polar33892256
Biocytin,2TMS,isomer #10C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]123348.3Standard non polar33892256
Biocytin,2TMS,isomer #10C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]126289.8Standard polar33892256
Biocytin,2TMS,isomer #11C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]213528.3Semi standard non polar33892256
Biocytin,2TMS,isomer #11C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]213306.1Standard non polar33892256
Biocytin,2TMS,isomer #11C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]215495.6Standard polar33892256
Biocytin,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C3679.3Semi standard non polar33892256
Biocytin,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C3400.1Standard non polar33892256
Biocytin,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C6542.8Standard polar33892256
Biocytin,2TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C3675.4Semi standard non polar33892256
Biocytin,2TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C3336.8Standard non polar33892256
Biocytin,2TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C6078.7Standard polar33892256
Biocytin,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]123657.5Semi standard non polar33892256
Biocytin,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]123322.8Standard non polar33892256
Biocytin,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]126127.7Standard polar33892256
Biocytin,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)[Si](C)(C)C3901.9Semi standard non polar33892256
Biocytin,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)[Si](C)(C)C3468.3Standard non polar33892256
Biocytin,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)[Si](C)(C)C6660.8Standard polar33892256
Biocytin,2TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)C(=O)O3769.2Semi standard non polar33892256
Biocytin,2TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)C(=O)O3407.0Standard non polar33892256
Biocytin,2TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)C(=O)O6807.2Standard polar33892256
Biocytin,2TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)C(=O)O3746.6Semi standard non polar33892256
Biocytin,2TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)C(=O)O3344.4Standard non polar33892256
Biocytin,2TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)C(=O)O6121.8Standard polar33892256
Biocytin,2TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)C(=O)O3726.2Semi standard non polar33892256
Biocytin,2TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)C(=O)O3330.9Standard non polar33892256
Biocytin,2TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)C(=O)O6187.9Standard polar33892256
Biocytin,2TMS,isomer #9C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C3691.9Semi standard non polar33892256
Biocytin,2TMS,isomer #9C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C3361.5Standard non polar33892256
Biocytin,2TMS,isomer #9C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C6249.5Standard polar33892256
Biocytin,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N([Si](C)(C)C)[Si](C)(C)C3863.1Semi standard non polar33892256
Biocytin,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N([Si](C)(C)C)[Si](C)(C)C3485.9Standard non polar33892256
Biocytin,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N([Si](C)(C)C)[Si](C)(C)C6204.8Standard polar33892256
Biocytin,3TMS,isomer #10C[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]213806.9Semi standard non polar33892256
Biocytin,3TMS,isomer #10C[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]213460.2Standard non polar33892256
Biocytin,3TMS,isomer #10C[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]215780.4Standard polar33892256
Biocytin,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O3699.7Semi standard non polar33892256
Biocytin,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O3418.1Standard non polar33892256
Biocytin,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O5791.7Standard polar33892256
Biocytin,3TMS,isomer #12C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)C(=O)O3673.6Semi standard non polar33892256
Biocytin,3TMS,isomer #12C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)C(=O)O3411.0Standard non polar33892256
Biocytin,3TMS,isomer #12C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)C(=O)O5858.6Standard polar33892256
Biocytin,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)C(=O)O3505.2Semi standard non polar33892256
Biocytin,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)C(=O)O3386.9Standard non polar33892256
Biocytin,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)C(=O)O4755.8Standard polar33892256
Biocytin,3TMS,isomer #14C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3457.1Semi standard non polar33892256
Biocytin,3TMS,isomer #14C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3364.2Standard non polar33892256
Biocytin,3TMS,isomer #14C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C5226.4Standard polar33892256
Biocytin,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)C(=O)O[Si](C)(C)C3747.6Semi standard non polar33892256
Biocytin,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)C(=O)O[Si](C)(C)C3435.8Standard non polar33892256
Biocytin,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)C(=O)O[Si](C)(C)C6275.9Standard polar33892256
Biocytin,3TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)C(=O)O[Si](C)(C)C3723.4Semi standard non polar33892256
Biocytin,3TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)C(=O)O[Si](C)(C)C3390.1Standard non polar33892256
Biocytin,3TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)C(=O)O[Si](C)(C)C5711.5Standard polar33892256
Biocytin,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)C(=O)O[Si](C)(C)C3697.1Semi standard non polar33892256
Biocytin,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)C(=O)O[Si](C)(C)C3381.6Standard non polar33892256
Biocytin,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)C(=O)O[Si](C)(C)C5777.0Standard polar33892256
Biocytin,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C3634.8Semi standard non polar33892256
Biocytin,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C3391.7Standard non polar33892256
Biocytin,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C5846.9Standard polar33892256
Biocytin,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C3610.9Semi standard non polar33892256
Biocytin,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C3378.8Standard non polar33892256
Biocytin,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C5892.3Standard polar33892256
Biocytin,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3460.4Semi standard non polar33892256
Biocytin,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3353.6Standard non polar33892256
Biocytin,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C5033.9Standard polar33892256
Biocytin,3TMS,isomer #8C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]123837.5Semi standard non polar33892256
Biocytin,3TMS,isomer #8C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]123529.5Standard non polar33892256
Biocytin,3TMS,isomer #8C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]126191.9Standard polar33892256
Biocytin,3TMS,isomer #9C[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)SC[C@@H]213842.6Semi standard non polar33892256
Biocytin,3TMS,isomer #9C[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)SC[C@@H]213468.9Standard non polar33892256
Biocytin,3TMS,isomer #9C[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)SC[C@@H]215711.6Standard polar33892256
Biocytin,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3817.5Semi standard non polar33892256
Biocytin,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3539.5Standard non polar33892256
Biocytin,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5791.8Standard polar33892256
Biocytin,4TMS,isomer #10C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]213564.8Semi standard non polar33892256
Biocytin,4TMS,isomer #10C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]213516.4Standard non polar33892256
Biocytin,4TMS,isomer #10C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]214393.2Standard polar33892256
Biocytin,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O3421.2Semi standard non polar33892256
Biocytin,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O3444.3Standard non polar33892256
Biocytin,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O4435.5Standard polar33892256
Biocytin,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3796.4Semi standard non polar33892256
Biocytin,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3501.5Standard non polar33892256
Biocytin,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5364.5Standard polar33892256
Biocytin,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)N([Si](C)(C)C)[Si](C)(C)C3771.1Semi standard non polar33892256
Biocytin,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)N([Si](C)(C)C)[Si](C)(C)C3495.6Standard non polar33892256
Biocytin,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)N([Si](C)(C)C)[Si](C)(C)C5417.1Standard polar33892256
Biocytin,4TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3663.8Semi standard non polar33892256
Biocytin,4TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3450.1Standard non polar33892256
Biocytin,4TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C5372.4Standard polar33892256
Biocytin,4TMS,isomer #5C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)C(=O)O[Si](C)(C)C3633.9Semi standard non polar33892256
Biocytin,4TMS,isomer #5C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)C(=O)O[Si](C)(C)C3447.1Standard non polar33892256
Biocytin,4TMS,isomer #5C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)C(=O)O[Si](C)(C)C5425.5Standard polar33892256
Biocytin,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)C(=O)O[Si](C)(C)C3456.8Semi standard non polar33892256
Biocytin,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)C(=O)O[Si](C)(C)C3430.6Standard non polar33892256
Biocytin,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)C(=O)O[Si](C)(C)C4277.8Standard polar33892256
Biocytin,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C3396.5Semi standard non polar33892256
Biocytin,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C3403.0Standard non polar33892256
Biocytin,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C4797.0Standard polar33892256
Biocytin,4TMS,isomer #8C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C3757.9Semi standard non polar33892256
Biocytin,4TMS,isomer #8C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C3547.9Standard non polar33892256
Biocytin,4TMS,isomer #8C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C5406.9Standard polar33892256
Biocytin,4TMS,isomer #9C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]123733.4Semi standard non polar33892256
Biocytin,4TMS,isomer #9C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]123542.3Standard non polar33892256
Biocytin,4TMS,isomer #9C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]125464.3Standard polar33892256
Biocytin,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3745.3Semi standard non polar33892256
Biocytin,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3548.2Standard non polar33892256
Biocytin,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5064.4Standard polar33892256
Biocytin,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3725.9Semi standard non polar33892256
Biocytin,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3549.7Standard non polar33892256
Biocytin,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5101.4Standard polar33892256
Biocytin,5TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3556.4Semi standard non polar33892256
Biocytin,5TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3528.0Standard non polar33892256
Biocytin,5TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4009.5Standard polar33892256
Biocytin,5TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3393.9Semi standard non polar33892256
Biocytin,5TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3475.6Standard non polar33892256
Biocytin,5TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4004.1Standard polar33892256
Biocytin,5TMS,isomer #5C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3509.0Semi standard non polar33892256
Biocytin,5TMS,isomer #5C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3568.7Standard non polar33892256
Biocytin,5TMS,isomer #5C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C4146.2Standard polar33892256
Biocytin,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3521.3Semi standard non polar33892256
Biocytin,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3560.9Standard non polar33892256
Biocytin,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3801.6Standard polar33892256
Biocytin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]123921.1Semi standard non polar33892256
Biocytin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O4000.3Semi standard non polar33892256
Biocytin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]123958.0Semi standard non polar33892256
Biocytin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]213981.3Semi standard non polar33892256
Biocytin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)SC[C@@H]213984.8Semi standard non polar33892256
Biocytin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O[Si](C)(C)C(C)(C)C4236.9Semi standard non polar33892256
Biocytin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O[Si](C)(C)C(C)(C)C3802.4Standard non polar33892256
Biocytin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O[Si](C)(C)C(C)(C)C6217.8Standard polar33892256
Biocytin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]124168.4Semi standard non polar33892256
Biocytin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]123766.3Standard non polar33892256
Biocytin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]125946.1Standard polar33892256
Biocytin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]214034.6Semi standard non polar33892256
Biocytin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]213766.3Standard non polar33892256
Biocytin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(=O)O)[C@H]215233.9Standard polar33892256
Biocytin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C4136.4Semi standard non polar33892256
Biocytin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C3825.6Standard non polar33892256
Biocytin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C6196.3Standard polar33892256
Biocytin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C4179.9Semi standard non polar33892256
Biocytin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C3770.7Standard non polar33892256
Biocytin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C5763.4Standard polar33892256
Biocytin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]124164.5Semi standard non polar33892256
Biocytin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]123758.9Standard non polar33892256
Biocytin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]125779.3Standard polar33892256
Biocytin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)[Si](C)(C)C(C)(C)C4331.7Semi standard non polar33892256
Biocytin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)[Si](C)(C)C(C)(C)C3865.5Standard non polar33892256
Biocytin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)[Si](C)(C)C(C)(C)C6263.3Standard polar33892256
Biocytin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O4262.6Semi standard non polar33892256
Biocytin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O3821.3Standard non polar33892256
Biocytin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O6272.2Standard polar33892256
Biocytin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O4278.1Semi standard non polar33892256
Biocytin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O3771.9Standard non polar33892256
Biocytin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O5688.1Standard polar33892256
Biocytin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)C(=O)O4261.9Semi standard non polar33892256
Biocytin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)C(=O)O3762.3Standard non polar33892256
Biocytin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)C(=O)O5715.4Standard polar33892256
Biocytin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C4187.1Semi standard non polar33892256
Biocytin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C3775.9Standard non polar33892256
Biocytin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C5930.8Standard polar33892256
Biocytin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4531.1Semi standard non polar33892256
Biocytin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4079.6Standard non polar33892256
Biocytin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5787.1Standard polar33892256
Biocytin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]214504.5Semi standard non polar33892256
Biocytin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]214035.1Standard non polar33892256
Biocytin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]215335.8Standard polar33892256
Biocytin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4438.9Semi standard non polar33892256
Biocytin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3992.4Standard non polar33892256
Biocytin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O5371.8Standard polar33892256
Biocytin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O4408.2Semi standard non polar33892256
Biocytin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O3987.6Standard non polar33892256
Biocytin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O5383.2Standard polar33892256
Biocytin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O4206.0Semi standard non polar33892256
Biocytin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O3989.2Standard non polar33892256
Biocytin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O4556.5Standard polar33892256
Biocytin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C4126.0Semi standard non polar33892256
Biocytin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C3974.9Standard non polar33892256
Biocytin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C4977.5Standard polar33892256
Biocytin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4424.8Semi standard non polar33892256
Biocytin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4030.3Standard non polar33892256
Biocytin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5795.4Standard polar33892256
Biocytin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4434.3Semi standard non polar33892256
Biocytin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3982.7Standard non polar33892256
Biocytin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5282.9Standard polar33892256
Biocytin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)C(=O)O[Si](C)(C)C(C)(C)C4405.8Semi standard non polar33892256
Biocytin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)C(=O)O[Si](C)(C)C(C)(C)C3975.3Standard non polar33892256
Biocytin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)C(=O)O[Si](C)(C)C(C)(C)C5291.6Standard polar33892256
Biocytin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4343.7Semi standard non polar33892256
Biocytin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3970.1Standard non polar33892256
Biocytin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5492.4Standard polar33892256
Biocytin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C4316.7Semi standard non polar33892256
Biocytin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C3961.1Standard non polar33892256
Biocytin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C5495.5Standard polar33892256
Biocytin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C4141.7Semi standard non polar33892256
Biocytin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C3967.7Standard non polar33892256
Biocytin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C4818.3Standard polar33892256
Biocytin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]124478.0Semi standard non polar33892256
Biocytin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]124084.3Standard non polar33892256
Biocytin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]125788.6Standard polar33892256
Biocytin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)SC[C@@H]214530.0Semi standard non polar33892256
Biocytin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)SC[C@@H]214042.1Standard non polar33892256
Biocytin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)SC[C@@H]215324.4Standard polar33892256
Biocytin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4646.1Semi standard non polar33892256
Biocytin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4271.8Standard non polar33892256
Biocytin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5434.9Standard polar33892256
Biocytin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]214452.4Semi standard non polar33892256
Biocytin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]214232.7Standard non polar33892256
Biocytin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]214360.0Standard polar33892256
Biocytin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4299.2Semi standard non polar33892256
Biocytin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4164.3Standard non polar33892256
Biocytin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4414.7Standard polar33892256
Biocytin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4674.3Semi standard non polar33892256
Biocytin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4216.9Standard non polar33892256
Biocytin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5019.9Standard polar33892256
Biocytin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4652.8Semi standard non polar33892256
Biocytin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4206.3Standard non polar33892256
Biocytin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5016.2Standard polar33892256
Biocytin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4527.5Semi standard non polar33892256
Biocytin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4147.9Standard non polar33892256
Biocytin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5036.1Standard polar33892256
Biocytin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4500.1Semi standard non polar33892256
Biocytin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4144.7Standard non polar33892256
Biocytin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5033.3Standard polar33892256
Biocytin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4308.6Semi standard non polar33892256
Biocytin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4152.4Standard non polar33892256
Biocytin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4291.9Standard polar33892256
Biocytin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4268.5Semi standard non polar33892256
Biocytin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4133.1Standard non polar33892256
Biocytin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN(C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4674.3Standard polar33892256
Biocytin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C4606.8Semi standard non polar33892256
Biocytin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C4233.6Standard non polar33892256
Biocytin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C5079.3Standard polar33892256
Biocytin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]124591.3Semi standard non polar33892256
Biocytin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]124227.9Standard non polar33892256
Biocytin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]125077.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Biocytin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0035-9633000000-af428e64c7164519343b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biocytin GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9745000000-c60f47e829fe15e1e7932017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biocytin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Biocytin Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-00di-0009000000-e021402fd0b719844eb22012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Biocytin Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-003r-9064000000-5ce2eb2b09d3a1c52ce82012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Biocytin Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001i-9110000000-d9630fc3192cacdc2fdf2012-07-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 10V, Positive-QTOFsplash10-05di-0429000000-0bfe49385b5205b2e0462017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 20V, Positive-QTOFsplash10-0fc1-3922000000-9e29cfc78fb1faa6e51b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 40V, Positive-QTOFsplash10-001j-9500000000-e9574b5d68137a62b6792017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 10V, Negative-QTOFsplash10-00di-0009000000-105dd5c3f301cc7dc40e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 20V, Negative-QTOFsplash10-0006-9437000000-8ea9d972c1d5eeb423e92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 40V, Negative-QTOFsplash10-0006-9300000000-6a46fba2d13aba09d4f02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 10V, Negative-QTOFsplash10-00di-0009000000-29850915bb5c6d661d6d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 20V, Negative-QTOFsplash10-00fr-1129000000-d0a10775c2694ba6ee3e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 40V, Negative-QTOFsplash10-0006-7910000000-0d78214d8d0838c98e752021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 10V, Positive-QTOFsplash10-00di-0009000000-fc712e350aa1f6640bd72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 20V, Positive-QTOFsplash10-001i-9133000000-748bb305ae1784021d662021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biocytin 40V, Positive-QTOFsplash10-001i-9100000000-e607ed2f383027caf5892021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
  • Nucleus
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023111
KNApSAcK IDNot Available
Chemspider ID75634
KEGG Compound IDC05552
BioCyc IDNot Available
BiGG ID46012
Wikipedia LinkBiocytin
METLIN IDNot Available
PubChem Compound83814
PDB IDNot Available
ChEBI ID27870
Food Biomarker OntologyNot Available
VMH IDBIOCYT
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Spiga S, Fattore L, Puddu MC, Cappai A, Picciau S, Brotzu G, Serra GP, Petruzzo P: Use of biocytin as neuroanatomic tracer in harvested human pancreas: a confocal laser scanning microscopy analysis. Pancreas. 2002 May;24(4):329-35. [PubMed:11961484 ]
  2. Altemus KL, Lavenex P, Ishizuka N, Amaral DG: Morphological characteristics and electrophysiological properties of CA1 pyramidal neurons in macaque monkeys. Neuroscience. 2005;136(3):741-56. [PubMed:16344148 ]
  3. Evangelatos SA, Livaniou E, Kakabakos SE, Evangelatos GP, Ithakissios DS: Biotinidase radioassay using an 125I-biotin derivative, avidin, and polyethylene glycol reagents. Anal Biochem. 1991 Aug 1;196(2):385-9. [PubMed:1776689 ]
  4. Ebrahim H, Dakshinamurti K: Determination of biocytin. Anal Biochem. 1987 May 1;162(2):319-24. [PubMed:3111297 ]
  5. Suormala TM, Baumgartner ER, Bausch J, Holick W, Wick H: Quantitative determination of biocytin in urine of patients with biotinidase deficiency using high-performance liquid chromatography (HPLC). Clin Chim Acta. 1988 Oct 31;177(3):253-69. [PubMed:3148376 ]
  6. Hymes J, Fleischhauer K, Wolf B: Biotinylation of biotinidase following incubation with biocytin. Clin Chim Acta. 1995 Jan 16;233(1-2):39-45. [PubMed:7758201 ]
  7. Baur B, Suormala T, Bernoulli C, Baumgartner ER: Biotin determination by three different methods: specificity and application to urine and plasma ultrafiltrates of patients with and without disorders in biotin metabolism. Int J Vitam Nutr Res. 1998;68(5):300-8. [PubMed:9789762 ]
  8. van Gog FB, Visser GW, Gowrising RW, Snow GB, van Dongen GA: Synthesis and evaluation of 99mTc/99Tc-MAG3-biotin conjugates for antibody pretargeting strategies. Nucl Med Biol. 1998 Oct;25(7):611-9. [PubMed:9804042 ]
  9. Hymes J, Wolf B: Biotinidase and its roles in biotin metabolism. Clin Chim Acta. 1996 Nov 15;255(1):1-11. [PubMed:8930409 ]
  10. McDonald AJ: Neuroanatomical labeling with biocytin: a review. Neuroreport. 1992 Oct;3(10):821-7. [PubMed:1384763 ]
  11. King MA, Louis PM, Hunter BE, Walker DW: Biocytin: a versatile anterograde neuroanatomical tract-tracing alternative. Brain Res. 1989 Sep 18;497(2):361-7. [PubMed:2479450 ]

Enzymes

Enzyme Details
1. Biotinidase
General function:
Involved in hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
Specific function:
Catalytic release of biotin from biocytin, the product of biotin-dependent carboxylases degradation.
Gene Name:
BTD
Uniprot ID:
P43251
Molecular weight:
61132.43
Reactions
Biocytin + Water → Biotin + L-Lysinedetails
Enzyme Details
2. Signal peptidase complex subunit 1
General function:
Involved in peptidase activity
Specific function:
Component of the microsomal signal peptidase complex which removes signal peptides from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum
Gene Name:
SPCS1
Uniprot ID:
Q9Y6A9
Molecular weight:
11804.7