Terminology Service for NFDI4Health
alpha-Neup5,9Ac2-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
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http://purl.obolibrary.org/obo/CHEBI_72472
A linear amino trisaccharide comprising an N,9-O-diacetyl-alpha-neuraminyl 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-Neup5,9Ac2-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
Synonyms
- 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Subsets
3_STAR
IUPAC NAME
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
[
IUPAC
]
charge
0
formula
C27H44N2O20
has obo namespace
chebi_ontology
has related synonym
N,9-O-diacetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine, alpha-Neu5,9Ac2-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc, NeuAc(9Ac)alpha2-3Galbeta1-4GlcNAcbeta
id
CHEBI:72472
inchi
InChI=1S/C27H44N2O20/c1-8(32)28-15-11(35)4-27(26(42)43,48-22(15)17(37)12(36)7-44-10(3)34)49-23-18(38)13(5-30)46-25(20(23)40)47-21-14(6-31)45-24(41)16(19(21)39)29-9(2)33/h11-25,30-31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,25-,27-/m0/s1
inchikey
CQJCWCSUDWYBDG-BJHNEYRISA-N
mass
716.63970
monoisotopicmass
716.24874
smiles
[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(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)COC(C)=O