Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.

Showing metabocard for beta-D-Glucosamine (HMDB0030091)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:34:42 UTC
Update Date2023-02-21 17:19:29 UTC
HMDB IDHMDB0030091
Secondary Accession Numbers
  • HMDB30091
Metabolite Identification
Common Namebeta-D-Glucosamine
Descriptionbeta-D-Glucosamine is found in common bean. Glucosamine is an amino sugar and a prominent precursor in the biochemical synthesis of glycosylated proteins and lipids. Glucosamine is part of the structure of the polysaccharides chitosan and chitin, which compose the exoskeletons of crustaceans and other arthropods, cell walls in fungi and many higher organisms. In the US it is one of the most common non-vitamin, non-mineral, dietary supplements used by adults. (Wikipedia
Structure
Data?1676999969
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030091 (beta-D-Glucosamine)

 
  Mrv0541 02241221102D          
 
 12 12  0  0  1  0            999 V2000
   12.3667   -7.9769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3667   -8.8030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0797   -7.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6536   -7.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797   -9.2110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6536   -9.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7928   -7.9769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9370   -7.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7928   -8.8030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0797  -10.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5058   -7.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5058   -9.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  1  0  0  0
  9 12  1  6  0  0  0
  7  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0030091 (beta-D-Glucosamine)

HMDB0030091
     RDKit          3D
beta-D-Glucosamine
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.3743    0.2626   -1.2471 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.0947   -0.0027 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8347    1.3372    0.2180 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5792    2.2489    0.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    1.1785    0.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721    0.2727    0.0857 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5636    0.3917    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808   -0.4250    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798   -1.0907    0.3384 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2751   -2.0955   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -1.1702   -0.0053 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4482   -2.1298    0.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9056    0.9878   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    0.4463   -1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    0.0371    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6498    1.8637   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012    3.1082    0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    0.4615   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486    0.2666    1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    1.4604    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3894   -0.1151    0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7216   -1.3238    1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -2.8048   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -1.6366   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0721   -1.6264    1.4504 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  1
  3 16  1  6
  4 17  1  0
  6 18  1  6
  7 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  6
 12 25  1  0
M  END
Download

3D SDF for HMDB0030091 (beta-D-Glucosamine)

 
  Mrv0541 02241221102D          
 
 12 12  0  0  1  0            999 V2000
   12.3667   -7.9769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3667   -8.8030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0797   -7.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6536   -7.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797   -9.2110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6536   -9.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7928   -7.9769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9370   -7.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7928   -8.8030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0797  -10.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5058   -7.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5058   -9.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  1  0  0  0
  9 12  1  6  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030091

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1

> <INCHI_KEY>
MSWZFWKMSRAUBD-QZABAPFNSA-N

> <FORMULA>
C6H13NO5

> <MOLECULAR_WEIGHT>
179.1711

> <EXACT_MASS>
179.079372531

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
16.476595903596227

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

> <ALOGPS_LOGP>
-2.73

> <JCHEM_LOGP>
-3.0394210146666665

> <ALOGPS_LOGS>
0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.974072372694078

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.726975176724002

> <JCHEM_PKA_STRONGEST_BASIC>
8.229727434444008

> <JCHEM_POLAR_SURFACE_AREA>
116.17

> <JCHEM_REFRACTIVITY>
37.58089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.51e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glucosamine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0030091 (beta-D-Glucosamine)

HMDB0030091
     RDKit          3D
beta-D-Glucosamine
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.3743    0.2626   -1.2471 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.0947   -0.0027 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8347    1.3372    0.2180 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5792    2.2489    0.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    1.1785    0.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721    0.2727    0.0857 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5636    0.3917    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808   -0.4250    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798   -1.0907    0.3384 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2751   -2.0955   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -1.1702   -0.0053 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4482   -2.1298    0.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9056    0.9878   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    0.4463   -1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    0.0371    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6498    1.8637   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012    3.1082    0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    0.4615   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486    0.2666    1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    1.4604    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3894   -0.1151    0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7216   -1.3238    1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -2.8048   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -1.6366   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0721   -1.6264    1.4504 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  1
  3 16  1  6
  4 17  1  0
  6 18  1  6
  7 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  6
 12 25  1  0
M  END
Download

PDB for HMDB0030091 (beta-D-Glucosamine)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      23.085 -14.890   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.085 -16.432   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      24.415 -14.116   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      21.753 -14.116   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      24.415 -17.194   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      21.753 -17.194   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      25.747 -14.890   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      20.416 -14.890   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      25.747 -16.432   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      24.415 -18.736   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      27.077 -14.116   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      27.077 -17.194   0.000  0.00  0.00           N+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9   10                                                  
CONECT    6    2                                                            
CONECT    7    3   11    9                                                  
CONECT    8    4                                                            
CONECT    9    5   12    7                                                  
CONECT   10    5                                                            
CONECT   11    7                                                            
CONECT   12    9                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
Download

3D PDB for HMDB0030091 (beta-D-Glucosamine)

COMPND    HMDB0030091
HETATM    1  N1  UNL     1       2.374   0.263  -1.247  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.615   0.095  -0.003  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.835   1.337   0.218  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.579   2.249   0.999  1.00  0.00           O  
HETATM    5  O2  UNL     1      -0.377   1.179   0.825  1.00  0.00           O  
HETATM    6  C3  UNL     1      -1.172   0.273   0.086  1.00  0.00           C  
HETATM    7  C4  UNL     1      -2.564   0.392   0.612  1.00  0.00           C  
HETATM    8  O3  UNL     1      -3.481  -0.425   0.002  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.580  -1.091   0.338  1.00  0.00           C  
HETATM   10  O4  UNL     1      -1.275  -2.095  -0.339  1.00  0.00           O  
HETATM   11  C6  UNL     1       0.857  -1.170  -0.005  1.00  0.00           C  
HETATM   12  O5  UNL     1       1.448  -2.130   0.851  1.00  0.00           O  
HETATM   13  H1  UNL     1       1.906   0.988  -1.847  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.371   0.446  -1.083  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.394   0.037   0.812  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.650   1.864  -0.762  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.701   3.108   0.559  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.118   0.462  -0.993  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.549   0.267   1.722  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.884   1.460   0.447  1.00  0.00           H  
HETATM   21  H9  UNL     1      -4.389  -0.115   0.300  1.00  0.00           H  
HETATM   22  H10 UNL     1      -0.722  -1.324   1.433  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.631  -2.805  -0.604  1.00  0.00           H  
HETATM   24  H12 UNL     1       0.939  -1.637  -1.031  1.00  0.00           H  
HETATM   25  H13 UNL     1       2.072  -1.626   1.450  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3   11   15
CONECT    3    4    5   16
CONECT    4   17
CONECT    5    6
CONECT    6    7    9   18
CONECT    7    8   19   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   24
CONECT   12   25
END
Download

SMILES for HMDB0030091 (beta-D-Glucosamine)

N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Download

INCHI for HMDB0030091 (beta-D-Glucosamine)

InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
D-GLUCOSAMINEChEBI
WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*n]/1/ChEBI
b-D-GlucosamineGenerator
Β-D-glucosamineGenerator
2-amino-2-Deoxy-beta-D-glucopyranoseHMDB
2 Amino 2 deoxyglucoseMeSH
Dona SMeSH
Glucosamine sulfateMeSH
DonaMeSH
HespercorbinMeSH
XicilMeSH
2-Amino-2-deoxyglucoseMeSH
GlucosamineMeSH
Sulfate, glucosamineMeSH
Chemical FormulaC6H13NO5
Average Molecular Weight179.1711
Monoisotopic Molecular Weight179.079372531
IUPAC Name(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
Traditional Nameglucosamine
CAS Registry Number14257-69-3
SMILES
N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
InChI KeyMSWZFWKMSRAUBD-QZABAPFNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Amino saccharide
  • Oxane
  • 1,2-aminoalcohol
  • Hemiacetal
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Primary amine
  • Primary alcohol
  • Organopnictogen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Alcohol
  • Amine
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting Point88.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point449.00 to 450.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-2.175 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility551 g/LALOGPS
logP-2.7ALOGPS
logP-3ChemAxon
logS0.49ALOGPS
pKa (Strongest Acidic)11.73ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area116.17 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity37.58 m³·mol⁻¹ChemAxon
Polarizability16.48 ųChemAxon
Number of Rings1ChemAxon
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]+140.12731661259
DarkChem[M-H]-135.36531661259
DeepCCS[M+H]+142.03530932474
DeepCCS[M-H]-139.65830932474
DeepCCS[M-2H]-174.14130932474
DeepCCS[M+Na]+148.43830932474
AllCCS[M+H]+140.832859911
AllCCS[M+H-H2O]+136.532859911
AllCCS[M+NH4]+144.832859911
AllCCS[M+Na]+145.932859911
AllCCS[M-H]-132.032859911
AllCCS[M+Na-2H]-133.032859911
AllCCS[M+HCOO]-134.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
beta-D-GlucosamineN[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O3061.4Standard polar33892256
beta-D-GlucosamineN[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O2135.9Standard non polar33892256
beta-D-GlucosamineN[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O1732.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
beta-D-Glucosamine,1TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N1744.9Semi standard non polar33892256
beta-D-Glucosamine,1TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O1786.9Semi standard non polar33892256
beta-D-Glucosamine,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O1772.2Semi standard non polar33892256
beta-D-Glucosamine,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O1767.8Semi standard non polar33892256
beta-D-Glucosamine,1TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O1783.4Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O1754.6Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #10C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C1777.4Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #11C[Si](C)(C)N([C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C1876.3Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #2C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N1744.7Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #3C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N1750.3Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #4C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O1775.2Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O1769.5Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C1757.7Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #7C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O1783.0Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C1722.2Semi standard non polar33892256
beta-D-Glucosamine,2TMS,isomer #9C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O1779.2Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O1821.6Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #10C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1821.9Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O1936.2Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #12C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1815.6Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O1908.1Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C1902.4Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C1789.3Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #3C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O1783.8Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N1809.0Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O1821.0Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #6C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C1819.4Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C1895.4Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1782.4Semi standard non polar33892256
beta-D-Glucosamine,3TMS,isomer #9C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1815.5Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1840.0Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1955.1Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C1928.7Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #2C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1895.0Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #3C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1900.6Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O1912.4Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1882.5Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O1936.5Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C1943.3Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #8C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1887.3Semi standard non polar33892256
beta-D-Glucosamine,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1951.0Semi standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #1C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1942.8Semi standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #1C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1997.9Standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2006.7Semi standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2055.2Standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2003.0Semi standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2054.9Standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2010.7Semi standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2038.3Standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1994.8Semi standard non polar33892256
beta-D-Glucosamine,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2044.6Standard non polar33892256
beta-D-Glucosamine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2072.2Semi standard non polar33892256
beta-D-Glucosamine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2107.2Standard non polar33892256
beta-D-Glucosamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N1994.0Semi standard non polar33892256
beta-D-Glucosamine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O2063.9Semi standard non polar33892256
beta-D-Glucosamine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O2031.7Semi standard non polar33892256
beta-D-Glucosamine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O2013.4Semi standard non polar33892256
beta-D-Glucosamine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O2077.5Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O2236.3Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2260.8Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N([C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2342.0Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1N2236.1Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N2226.1Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O2256.9Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2254.9Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2240.2Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2276.4Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C(C)(C)C2216.3Semi standard non polar33892256
beta-D-Glucosamine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2274.8Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2483.2Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2529.2Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2621.1Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2510.4Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O2592.0Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2583.7Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2478.1Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2507.3Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N2463.7Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2523.5Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2520.4Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2580.9Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2465.3Semi standard non polar33892256
beta-D-Glucosamine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2520.8Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2694.8Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2858.9Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2832.7Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H]1[C@H](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[Si](C)(C)C(C)(C)C2727.7Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2731.9Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2816.8Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](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[Si](C)(C)C(C)(C)C2713.2Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O2839.3Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2832.4Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@H]1[C@H](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[Si](C)(C)C(C)(C)C2737.2Semi standard non polar33892256
beta-D-Glucosamine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2838.7Semi standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2929.0Semi standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2907.1Standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3059.4Semi standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2950.5Standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3059.5Semi standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2962.7Standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3053.5Semi standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2937.7Standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3064.5Semi standard non polar33892256
beta-D-Glucosamine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2960.3Standard non polar33892256
beta-D-Glucosamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3316.6Semi standard non polar33892256
beta-D-Glucosamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3161.6Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0a4i-1930000000-641b9595094291e042bf2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0a4i-1920000000-cc14b9deaf38bb2e7f0b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0a4i-0920000000-285efea59e96086f68a92017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0udi-0890000000-ad3197a0f8e9df6ace0b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0udi-0890000000-d07dc76ed5b2a3a1fa732017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-00di-9820000000-b0321bba020e752235742017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0a4i-1930000000-641b9595094291e042bf2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0a4i-1920000000-cc14b9deaf38bb2e7f0b2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0a4i-0920000000-285efea59e96086f68a92018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0udi-0890000000-ad3197a0f8e9df6ace0b2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-0udi-0890000000-d07dc76ed5b2a3a1fa732018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)splash10-00di-9820000000-b0321bba020e752235742018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bvr-9300000000-3c6bb109320df13a5a492016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (4 TMS) - 70eV, Positivesplash10-0v0r-8679600000-e17d034e525997129c3d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-Glucosamine 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 - beta-D-Glucosamine LC-ESI-QQ , positive-QTOFsplash10-03e9-0900000000-3e8831c89ee8d705db412017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOFsplash10-03l9-9500000000-35d8aa59734319e98c202017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOFsplash10-00di-9000000000-1440317d39cbf247d61a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOFsplash10-006t-9000000000-3db0033f560f05d0137e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOFsplash10-0005-9000000000-87345e602c89eb5bd1452017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QTOF , positive-QTOFsplash10-001i-0900000000-4ce3229d9ccd4fc5f76a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QTOF , positive-QTOFsplash10-001i-1900000000-72244a903a1a0f35ac2a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine 30V, Positive-QTOFsplash10-001i-1900000000-0d3a44f2c574c72c52842021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-D-Glucosamine 30V, Positive-QTOFsplash10-001i-1900000000-ee83224f103e5260cc042021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Positive-QTOFsplash10-01q9-0900000000-4c88765919efa0ec2d2d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Positive-QTOFsplash10-03ea-6900000000-301590fbe90692448d5e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Positive-QTOFsplash10-052g-9100000000-d6a51790ce1df14a067a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Negative-QTOFsplash10-002r-9400000000-e43a7a5cb44f6c4615442016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Negative-QTOFsplash10-053r-9800000000-56b95ef43b164db5524d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Negative-QTOFsplash10-052f-9000000000-1434c5ce1e9649c1cbf12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Negative-QTOFsplash10-0a4i-9300000000-6c60a7f332602832baaf2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Negative-QTOFsplash10-0a4i-9200000000-77db29658fe1def3600e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Negative-QTOFsplash10-0a4l-9000000000-bd64268dc67588fc19692021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Positive-QTOFsplash10-01ox-0900000000-400a58d3fc54c3aaa5982021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Positive-QTOFsplash10-022c-9100000000-a61fa7431c3bb2a108d92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Positive-QTOFsplash10-0006-9000000000-9d850e653d9a1cc1e5ee2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001474
KNApSAcK IDC00001121
Chemspider ID390201
KEGG Compound IDC08349
BioCyc IDCPD-12539
BiGG ID34633
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound441477
PDB IDGCS
ChEBI ID28393
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1365631
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Afendi FM, Okada T, Yamazaki M, Hirai-Morita A, Nakamura Y, Nakamura K, Ikeda S, Takahashi H, Altaf-Ul-Amin M, Darusman LK, Saito K, Kanaya S. (2012) KNApSAcK family databases: integrated metabolite-plant species databases for multifaceted plant research. Plant Cell Physiol. 2012 Feb;53(2):e1.. .