Basic information
- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O- InChIKey
MGSDFCKWGHNUSM-QVPNGJTFSA-N- Molecular formula
- C20H35NO15
- Average molar mass
- 529.5 g/mol
- Monoisotopic mass
- 529.20066941
Names & identifiers
- Preferred name
- alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
- IUPAC
- N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Names & synonyms
H type I epitopeH type Ihuman blood group H type 1 trisaccharidealpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAcCHEBI:59296alphaLFuc(1-2)betaDGal(1-3)betaDGlcNAcalpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAcalpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoseRefChem:555774GlyTouCan:G40696TOG40696TOglobo-H
Show more names
Fucalpha1-2Galbeta1-3GlcNAcbeta6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoseFuca1-2Galb1-3GlcNAcbEpitope ID:130652SCHEMBL29379691MGSDFCKWGHNUSM-QVPNGJTFSA-NDB04679N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Database identifiers
- PubChem CID
- 5326971
- ChEBI
CHEBI:59296- Nikkaji
- J806.547K
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 731
Related reactions
1 records
Compound notes
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