Terminology Service for NFDI4Health
alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcNAcp
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http://purl.obolibrary.org/obo/CHEBI_72466
A linear amino trisaccharide comprising an alpha-N-glycoloylneuraminyl residue (2->3)-linked to a beta-D-galactosyl residue, which is in turn linked (1->4) to N-acetyl-beta-D-glucosamine.
Term info
Label
alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcNAcp
Synonyms
- 3,5-dideoxy-5-(glycoloylamino)-D-glycero-beta-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Subsets
3_STAR
IUPAC NAME
3,5-dideoxy-5-(glycoloylamino)-D-glycero-beta-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
[
IUPAC
]
charge
0
formula
C25H42N2O20
has obo namespace
chebi_ontology
has related synonym
alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc, alpha-N-glycoloylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine, Neu5Gca2-3Galb1-4GlcNAcb, Neu5Gcalpha2-3Galbeta1-4GlcNAcbeta
id
CHEBI:72466
inchi
InChI=1S/C25H42N2O20/c1-7(32)26-14-17(38)19(11(5-30)43-22(14)40)45-23-18(39)21(16(37)10(4-29)44-23)47-25(24(41)42)2-8(33)13(27-12(35)6-31)20(46-25)15(36)9(34)3-28/h8-11,13-23,28-31,33-34,36-40H,2-6H2,1H3,(H,26,32)(H,27,35)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1
inchikey
UCLLFEHQSRYVHM-FLPCITOWSA-N
mass
690.60240
monoisotopicmass
690.23309
smiles
[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(=O)CO)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO