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CHEBI:49022 - β-neuraminic acid

ChEBI IDCHEBI:49022
ChEBI Nameβ-neuraminic acid
Stars
ASCII Namebeta-neuraminic acid
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H17NO8
Net Charge0
Average Mass267.234
Monoisotopic Mass267.09542
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N
InChIInChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
InChIKeyCERZMXAJYMMUDR-YOQZMRDMSA-N
ChEBI Ontology
Outgoing Relation(s)
β-neuraminic acid (CHEBI:49022) is a 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid (CHEBI:7539)
Incoming Relation(s)
N-acetyl-β-neuraminic acid (CHEBI:45744) has functional parent β-neuraminic acid (CHEBI:49022)
N,N-diacetyllegionaminic acid (CHEBI:68682) has functional parent β-neuraminic acid (CHEBI:49022)
legionaminic acid (CHEBI:68676) has functional parent β-neuraminic acid (CHEBI:49022)
IUPAC Name 
5-amino-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosonic acid
Registry NumbersSources
Beilstein:2508435Beilstein