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N-acetylneuraminate

Go to external page http://purl.obolibrary.org/obo/CHEBI_35418

A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.

Term info

Label

N-acetylneuraminate

Synonyms
  • 5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate
  • 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate
  • N-acetylneuraminate
database cross reference
Subsets

3_STAR

IUPAC NAME
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate [ IUPAC ]

IUPAC NAME
5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate [ IUPAC ]

charge

-1

formula

C11H18NO9

has alternative id

CHEBI:21617, CHEBI:12471, CHEBI:33987, CHEBI:12579

has obo namespace

chebi_ontology

id

CHEBI:35418

inchi

InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11?/m0/s1

inchikey

SQVRNKJHWKZAKO-LUWBGTNYSA-M

mass

308.26196

monoisotopicmass

308.09870

smiles

[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)CO