CHEBI:131593 - 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid

ChEBI IDCHEBI:131593
ChEBI Name3-deoxy-D-glycero-β-D-galacto-nonulosonic acid
Stars
ASCII Name3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
DefinitionA deaminoneuraminic acid in which the anomeric centre has β-configuration.
Last Modified20 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC9H16O9
Net Charge0
Average Mass268.218
Monoisotopic Mass268.07943
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@H](O)[C@H]1O
WURCSWURCS=2.0/1,1,0/[Aad21122h-2b_2-6]/1/
InChIInChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
InChIKeyCLRLHXKNIYJWAW-YOQZMRDMSA-N
Species of MetaboliteComponentSourceComments
Bacteroides thetaiotaomicron (ncbitaxon:818) - PubMed (18986982)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) has role bacterial metabolite (CHEBI:76969)
3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) is a deaminoneuraminic acid (CHEBI:71429)
3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) is conjugate acid of 3-deoxy-D-glycero-β-D-galacto-nonulosonate (CHEBI:90988)
Incoming Relation(s)
CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) has functional parent 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593)
3-deoxy-D-glycero-β-D-galacto-nonulosonate (CHEBI:90988) is conjugate base of 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593)
Synonyms  Source
2-keto-3-deoxy-D-glycero-β-D-galacto-nononic acidChEBI
deamino-β-neuraminic acidChEBI
β-KDNChEBI
Manual XrefsDatabases
CPD-10734MetaCyc
G28553JCGlyGen
G28553JCGlyTouCan
Registry NumbersSources
Reaxys:3555043Reaxys
Citations