Basic information
- Standard SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
HMQPEDMEOBLSQB-RPHKZZMBSA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
Overview
Beta-D-Galp-(1->3)-D-GlcpNAc is an amino disaccharide consisting of beta-D-galactose linked via a (13)-glycosidic bond to N-acetyl-D-glucosamine. It has a role as an epitope. It is an amino disaccharide and a glucosamine oligosaccharide.
Names & identifiers
- Preferred name
- Lacto-N-biose
- IUPAC
- N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Names & synonyms
Lacto-N-biosebeta-D-Gal-(1->3)-D-GlcNAcbeta-D-Galactopyranosyl-(1->3)-N-acetyl-D-glucosamineRefChem:621115GlyTouCan:G04616STG04616STGalbeta1,3GlcNAc489-52-1beta-D-Galp-(1->3)-D-GlcpNAcGalbeta1-3GlcNAcMFCD00036714N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Show more names
CHEMBL4862340CHEBI:277072-Acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-glucopyranosebeta-D-galactsyl-(1->3)-N-acetyl-D-glucosamine2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-galactose2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-glucopyranosebeta-D-Galactosyl-(1-3)-N-acetylgalactosamine; Gal1-beta-3GalNAc; O-beta-D-Galactopyranosyl-(1-3)-N-acetylgalactosamine;N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
Database identifiers
- PubChem CID
- 440994
- ChEMBL
CHEMBL4862340- ChEBI
CHEBI:27707- Nikkaji
- J552.826G
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Related reactions
2 records
Compound notes
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