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CHEBI:27851 - keto-neuraminic acid

ChEBI IDCHEBI:27851
ChEBI Nameketo-neuraminic acid
Stars
ASCII Nameketo-neuraminic acid
DefinitionThe open-chain form of neuraminic acid.
Secondary ChEBI IDCHEBI:25507
Last Modified26 May 2021
DownloadsMolfile
FormulaC9H17NO8
Net Charge0
Average Mass267.234
Monoisotopic Mass267.09542
SMILESN[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CC(=O)C(=O)O
InChIInChI=1S/C9H17NO8/c10-6(3(12)1-4(13)9(17)18)8(16)7(15)5(14)2-11/h3,5-8,11-12,14-16H,1-2,10H2,(H,17,18)/t3-,5+,6+,7+,8+/m0/s1
InChIKeyBQINXKOTJQCISL-GRCPKETISA-N
ChEBI Ontology
Outgoing Relation(s)
keto-neuraminic acid (CHEBI:27851) is a neuraminic acid (CHEBI:49018)
keto-neuraminic acid (CHEBI:27851) is conjugate acid of neuraminate (CHEBI:25505)
Incoming Relation(s)
9-O-acetylneuraminic acid (CHEBI:28879) has functional parent keto-neuraminic acid (CHEBI:27851)
aceneuramic acid (CHEBI:173082) has functional parent keto-neuraminic acid (CHEBI:27851)
neuraminate (CHEBI:25505) is conjugate base of keto-neuraminic acid (CHEBI:27851)
IUPAC Name 
(4S,5R,6R,7S,8R)-5-amino-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
Registry NumbersSources
Reaxys:1714200Reaxys