Basic information
- CAS
97747-46-1- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O- InChIKey
LJORHONFMDUUHP-VOGNPWKQSA-N- Molecular formula
- C14H23NO12
- Average molar mass
- 397.33 g/mol
- Monoisotopic mass
- 397.12202517
Overview
Beta-D-GlcpA-(1->3)-beta-D-GlcpNAc is an amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position. It has a role as an epitope. It is an amino disaccharide and a glucosamine oligosaccharide.
Names & identifiers
- Preferred name
- 2-(Acetylamino)-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose
- IUPAC
- (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
97747-46-1RefChem:935376GlyTouCan:G92606DYG92606DY2-(Acetylamino)-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosebeta-D-GlcpA-(1->3)-beta-D-GlcpNAcGlcAbeta1-3GlcNAcbetaCHEBI:610292-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosebeta-D-GlcA-(1->3)-beta-D-GlcNAcbeta-D-glucuronosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucosebeta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Show more names
GlcAb1-3GlcNAcbEpitope ID:151527orb3181857SCHEMBL29533003OA183169NS00066584Q271305742-(Acetylamino)-2-deoxy-3-O-?-D-glucopyranuronosyl-?-D-glucopyranose
Database identifiers
- CAS
97747-46-1- PubChem CID
- 5288907
- ChEBI
CHEBI:61029- EC Number
- 307-780-4
- Nikkaji
- J318.139A
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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