Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:34:42 UTC

Update Date

2023-02-21 17:19:29 UTC

HMDB ID

HMDB0030091

Secondary Accession Numbers

HMDB30091

Metabolite Identification

Common Name

beta-D-Glucosamine

Description

beta-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

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

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
D-GLUCOSAMINE	ChEBI
WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*n]/1/	ChEBI
b-D-Glucosamine	Generator
Β-D-glucosamine	Generator
2-amino-2-Deoxy-beta-D-glucopyranose	HMDB
2 Amino 2 deoxyglucose	MeSH
Dona S	MeSH
Glucosamine sulfate	MeSH
Dona	MeSH
Hespercorbin	MeSH
Xicil	MeSH
2-Amino-2-deoxyglucose	MeSH
Glucosamine	MeSH
Sulfate, glucosamine	MeSH

Chemical Formula

C₆H₁₃NO₅

Average Molecular Weight

179.1711

Monoisotopic Molecular Weight

179.079372531

IUPAC Name

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

Traditional Name

glucosamine

CAS Registry Number

14257-69-3

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 Key

MSWZFWKMSRAUBD-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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

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 Framework

Aliphatic heteromonocyclic compounds

External Descriptors

2-amino-2-deoxy-D-glucopyranose (CHEBI:28393 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030091)
Cytoplasm (HMDB: HMDB0030091)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030091)

Source

Endogenous

Endogenous (HMDB: HMDB0030091)

Plant

Fabaceae (HMDB: HMDB0030091)

Exogenous

Food

Food (HMDB: HMDB0030091)

Pulse

Bean

Exogenous (HMDB: HMDB0030091)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	88.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	449.00 to 450.00 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-2.175 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	551 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-3	ChemAxon
logS	0.49	ALOGPS
pKa (Strongest Acidic)	11.73	ChemAxon
pKa (Strongest Basic)	8.23	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	116.17 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	37.58 m³·mol⁻¹	ChemAxon
Polarizability	16.48 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	140.127	31661259
DarkChem	[M-H]-	135.365	31661259
DeepCCS	[M+H]+	142.035	30932474
DeepCCS	[M-H]-	139.658	30932474
DeepCCS	[M-2H]-	174.141	30932474
DeepCCS	[M+Na]+	148.438	30932474
AllCCS	[M+H]+	140.8	32859911
AllCCS	[M+H-H2O]+	136.5	32859911
AllCCS	[M+NH4]+	144.8	32859911
AllCCS	[M+Na]+	145.9	32859911
AllCCS	[M-H]-	132.0	32859911
AllCCS	[M+Na-2H]-	133.0	32859911
AllCCS	[M+HCOO]-	134.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
beta-D-Glucosamine	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	3061.4	Standard polar	33892256
beta-D-Glucosamine	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	2135.9	Standard non polar	33892256
beta-D-Glucosamine	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	1732.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
beta-D-Glucosamine,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N	1744.9	Semi standard non polar	33892256
beta-D-Glucosamine,1TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O	1786.9	Semi standard non polar	33892256
beta-D-Glucosamine,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O	1772.2	Semi standard non polar	33892256
beta-D-Glucosamine,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O	1767.8	Semi standard non polar	33892256
beta-D-Glucosamine,1TMS,isomer #5	C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	1783.4	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	1754.6	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #10	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	1777.4	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #11	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	1876.3	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N	1744.7	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N	1750.3	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	1775.2	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O	1769.5	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C	1757.7	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #7	C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	1783.0	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #8	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	1722.2	Semi standard non polar	33892256
beta-D-Glucosamine,2TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	1779.2	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #1	C[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	1821.6	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #10	C[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	1821.9	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #11	C[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	1936.2	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #12	C[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)C	1815.6	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #13	C[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	1908.1	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #14	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)[Si](C)(C)C	1902.4	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #2	C[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)C	1789.3	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #3	C[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	1783.8	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #4	C[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	1809.0	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #5	C[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	1821.0	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #6	C[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)C	1819.4	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #7	C[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)C	1895.4	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #8	C[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)C	1782.4	Semi standard non polar	33892256
beta-D-Glucosamine,3TMS,isomer #9	C[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)C	1815.5	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #1	C[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)C	1840.0	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #10	C[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)C	1955.1	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #11	C[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)C	1928.7	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #2	C[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)C	1895.0	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #3	C[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	1900.6	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #4	C[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	1912.4	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #5	C[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)C	1882.5	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #6	C[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]1O	1936.5	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #7	C[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)C	1943.3	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #8	C[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)C	1887.3	Semi standard non polar	33892256
beta-D-Glucosamine,4TMS,isomer #9	C[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	1951.0	Semi standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #1	C[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)C	1942.8	Semi standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #1	C[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)C	1997.9	Standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #2	C[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	2006.7	Semi standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #2	C[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	2055.2	Standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #3	C[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)C	2003.0	Semi standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #3	C[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)C	2054.9	Standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #4	C[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)C	2010.7	Semi standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #4	C[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)C	2038.3	Standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #5	C[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)C	1994.8	Semi standard non polar	33892256
beta-D-Glucosamine,5TMS,isomer #5	C[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)C	2044.6	Standard non polar	33892256
beta-D-Glucosamine,6TMS,isomer #1	C[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)C	2072.2	Semi standard non polar	33892256
beta-D-Glucosamine,6TMS,isomer #1	C[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)C	2107.2	Standard non polar	33892256
beta-D-Glucosamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N	1994.0	Semi standard non polar	33892256
beta-D-Glucosamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O	2063.9	Semi standard non polar	33892256
beta-D-Glucosamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O	2031.7	Semi standard non polar	33892256
beta-D-Glucosamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O	2013.4	Semi standard non polar	33892256
beta-D-Glucosamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	2077.5	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #1	CC(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	2236.3	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #10	CC(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)C	2260.8	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #11	CC(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)C	2342.0	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #2	CC(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]1N	2236.1	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #3	CC(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	2226.1	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #4	CC(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	2256.9	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #5	CC(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	2254.9	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #6	CC(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)C	2240.2	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #7	CC(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	2276.4	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #8	CC(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)C	2216.3	Semi standard non polar	33892256
beta-D-Glucosamine,2TBDMS,isomer #9	CC(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	2274.8	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #1	CC(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	2483.2	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #10	CC(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	2529.2	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #11	CC(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	2621.1	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #12	CC(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)C	2510.4	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #13	CC(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	2592.0	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #14	CC(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)C	2583.7	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #2	CC(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)C	2478.1	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #3	CC(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	2507.3	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #4	CC(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	2463.7	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #5	CC(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	2523.5	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #6	CC(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)C	2520.4	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #7	CC(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)C	2580.9	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #8	CC(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)C	2465.3	Semi standard non polar	33892256
beta-D-Glucosamine,3TBDMS,isomer #9	CC(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)C	2520.8	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #1	CC(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)C	2694.8	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #10	CC(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)C	2858.9	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #11	CC(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)C	2832.7	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #2	CC(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)C	2727.7	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #3	CC(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	2731.9	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #4	CC(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	2816.8	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #5	CC(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)C	2713.2	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #6	CC(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]1O	2839.3	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #7	CC(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)C	2832.4	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #8	CC(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)C	2737.2	Semi standard non polar	33892256
beta-D-Glucosamine,4TBDMS,isomer #9	CC(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	2838.7	Semi standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #1	CC(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)C	2929.0	Semi standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #1	CC(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)C	2907.1	Standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #2	CC(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	3059.4	Semi standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #2	CC(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	2950.5	Standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #3	CC(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)C	3059.5	Semi standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #3	CC(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)C	2962.7	Standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #4	CC(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)C	3053.5	Semi standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #4	CC(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)C	2937.7	Standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #5	CC(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)C	3064.5	Semi standard non polar	33892256
beta-D-Glucosamine,5TBDMS,isomer #5	CC(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)C	2960.3	Standard non polar	33892256
beta-D-Glucosamine,6TBDMS,isomer #1	CC(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)C	3316.6	Semi standard non polar	33892256
beta-D-Glucosamine,6TBDMS,isomer #1	CC(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)C	3161.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0a4i-1930000000-641b9595094291e042bf	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0a4i-1920000000-cc14b9deaf38bb2e7f0b	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0a4i-0920000000-285efea59e96086f68a9	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0udi-0890000000-ad3197a0f8e9df6ace0b	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0udi-0890000000-d07dc76ed5b2a3a1fa73	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-00di-9820000000-b0321bba020e75223574	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0a4i-1930000000-641b9595094291e042bf	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0a4i-1920000000-cc14b9deaf38bb2e7f0b	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0a4i-0920000000-285efea59e96086f68a9	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0udi-0890000000-ad3197a0f8e9df6ace0b	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-0udi-0890000000-d07dc76ed5b2a3a1fa73	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Glucosamine GC-EI-TOF (Non-derivatized)	splash10-00di-9820000000-b0321bba020e75223574	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0bvr-9300000000-3c6bb109320df13a5a49	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (4 TMS) - 70eV, Positive	splash10-0v0r-8679600000-e17d034e525997129c3d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucosamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOF	splash10-03e9-0900000000-3e8831c89ee8d705db41	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOF	splash10-03l9-9500000000-35d8aa59734319e98c20	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOF	splash10-00di-9000000000-1440317d39cbf247d61a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOF	splash10-006t-9000000000-3db0033f560f05d0137e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QQ , positive-QTOF	splash10-0005-9000000000-87345e602c89eb5bd145	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QTOF , positive-QTOF	splash10-001i-0900000000-4ce3229d9ccd4fc5f76a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine LC-ESI-QTOF , positive-QTOF	splash10-001i-1900000000-72244a903a1a0f35ac2a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine 30V, Positive-QTOF	splash10-001i-1900000000-0d3a44f2c574c72c5284	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-D-Glucosamine 30V, Positive-QTOF	splash10-001i-1900000000-ee83224f103e5260cc04	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Positive-QTOF	splash10-01q9-0900000000-4c88765919efa0ec2d2d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Positive-QTOF	splash10-03ea-6900000000-301590fbe90692448d5e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Positive-QTOF	splash10-052g-9100000000-d6a51790ce1df14a067a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Negative-QTOF	splash10-002r-9400000000-e43a7a5cb44f6c461544	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Negative-QTOF	splash10-053r-9800000000-56b95ef43b164db5524d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Negative-QTOF	splash10-052f-9000000000-1434c5ce1e9649c1cbf1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Negative-QTOF	splash10-0a4i-9300000000-6c60a7f332602832baaf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Negative-QTOF	splash10-0a4i-9200000000-77db29658fe1def3600e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Negative-QTOF	splash10-0a4l-9000000000-bd64268dc67588fc1969	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 10V, Positive-QTOF	splash10-01ox-0900000000-400a58d3fc54c3aaa598	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 20V, Positive-QTOF	splash10-022c-9100000000-a61fa7431c3bb2a108d9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucosamine 40V, Positive-QTOF	splash10-0006-9000000000-9d850e653d9a1cc1e5ee	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

441477

PDB ID

GCS

ChEBI ID

28393

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1365631

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). 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.. .

Showing metabocard for beta-D-Glucosamine (HMDB0030091)

MOL for HMDB0030091 (beta-D-Glucosamine)

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

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

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

PDB for HMDB0030091 (beta-D-Glucosamine)

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

SMILES for HMDB0030091 (beta-D-Glucosamine)

INCHI for HMDB0030091 (beta-D-Glucosamine)

Structure for HMDB0030091 (beta-D-Glucosamine)

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

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra