Search summary:

Session ID: 6cd701fd7b922b2a80d8b2b94e5c7a08

Search Type: metabolite

Started at: 2010-07-26 10:15:13

Finished at: 2010-07-26 10:16:23

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Field Result Source
Name
hexosamine External
HMDB ID
Not Available Not Applicable
Bigg ID
Not Available Not Applicable
Description
Not Available Not Applicable
Chemical Kingdom
Organic BioSpider
Chemical Class
Carbohydrates NuGO
Chemical Species
1,2-diol Checkmol
hemiacetal Checkmol
heterocyclic compound Checkmol
primary alcohol Checkmol
secondary alcohol Checkmol
secondary carboxylic acid amide Checkmol
Synonym
α-D-Glucopyranose, 2-(acetylamino)-2-deoxy- NIST
.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy- Pubchem
2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose Pubchem
2-(Acetylamino)-2-deoxyhexopyranose NIST
2-ACETAMIDO-2-DEOXY-D-ALLOSE Pubchem
2-acetamido-2-deoxyhexopyranose Pubchem
6-Acetamido-6-deoxy-α-D-glucopyranose NIST
6-Acetamido-6-deoxy-.alpha.-D-glucopyranose Pubchem
6-Acetamido-6-deoxy-acpha-D-glucopyranose NIST
A8176_SIGMA Pubchem
Glcnac Pubchem
Glucosamine, n-acetyl Pubchem
N-Acetyl-2-Deoxy-2-Amino-Galactose Pubchem
N-acetyl-α-d-glucosamine NIST
N-acetyl-alpha-d-glucosamine Pubchem
N-acetyl-beta-d-glucosaminyl group Pubchem
N-acetyl-d-allosamine Pubchem
N-acetyl-d-galactosamine Pubchem
N-acetyl-d-glucosamine Pubchem
N-acetyl-d-hexosamine Pubchem
N-acetyl-d-mannosamine Pubchem
N-acetylchondrosamine Pubchem
N-acetylgalactosamine Pubchem
N-acetylhexosamine Pubchem
NAG Pubchem
CAS
10036-64-3 PubChem
InChI Identifier 
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,
12-14H,2H2,1H3,(H,9,11)
 PubChem
IUPAC
N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide PubChem
Chemical Formula
C8H15NO6 PubChem
Chemical Structure
Chemical Structure Molconvert
Average Molecular Weight (g/mol)
221.207800 BioSpider
Monoisotopic Molecular Weight (g/mol)
221.089940 BioSpider
SMILES (Isomeric) 
CC(=O)NC1C(C(C(OC1O)CO)O)O
 PubChem
SMILES (Canonical) 
CC(=O)NC1C(C(C(OC1O)CO)O)O
 PubChem
Kegg Compound
C02711 Kegg
Pubchem Compound ID
899 PubChem
Pubchem Substance ID
10329104 Pubchem
10331157 Pubchem
10331159 Pubchem
10331162 Pubchem
10331224 Pubchem
10502091 Pubchem
24439257 Pubchem
24891208 Pubchem
26758126 Pubchem
31480352 Pubchem
35236630 Pubchem
37910202 Pubchem
46504848 Pubchem
46505390 Pubchem
46508699 Pubchem
4842116 Pubchem
51071844 Pubchem
51071845 Pubchem
51071856 Pubchem
56320732 Pubchem
56320733 Pubchem
5674 Pubchem
57304828 Pubchem
57320575 Pubchem
57390576 Pubchem
78904965 Pubchem
81094488 Pubchem
8150852 Pubchem
85083263 Pubchem
85090479 Pubchem
85209881 Pubchem
91637655 Pubchem
OMIM ID
Not Available Not Applicable
ChEBI
24586 Chebi
BioCyc
Hexosamines BioCyc
Wikipedia
hexosamine Wikipedia
Melting Point
Not Available Not Applicable
Charge
Not Available Not Applicable
State
Not Available Not Applicable
MSDS Link
Not Available Not Applicable
Experimental Water Solubility
Not Available Not Applicable
Predicted Water Solubility
254 mg/mL [Predicted by ALOGPS] Alogps
Experimental LogP
Not Available Not Applicable
Predicted LogP
-2.60 [Predicted by ALOGPS] Alogps
pKa
Not Available Not Applicable
SDF File
1280160939.sdf Pubchem
Mol File
1280160921.mol Molconvert
Pdb File
1280160965.pdb Molconvert
Mass Spec File
Not Available Not Applicable
Associated Disorder
Not Available Not Applicable
Pathway
Not Available Not Applicable
Enzymes
Not Available Not Applicable
Compartments
Not Available Not Applicable
Reaction (query compound consumed)
Not Available Not Applicable
Reaction (query compound produced)
Not Available Not Applicable
Reaction, reversible (query compound neither consumed nor produced)
Not Available Not Applicable
Reaction (query compound is transported across a membrane)
Not Available Not Applicable