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CHEBI:229229 - 2-deoxy-2,3-dehydro-N-acetylneuraminate

ChEBI IDCHEBI:229229
ChEBI Name2-deoxy-2,3-dehydro-N-acetylneuraminate
Stars
ASCII Name2-deoxy-2,3-dehydro-N-acetylneuraminate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H16NO8
Net Charge-1
Average Mass290.248
Monoisotopic Mass290.08814
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,8+,9+,10+/m0/s1
InChIKeyJINJZWSZQKHCIP-UFGQHTETSA-M
ChEBI Ontology
Outgoing Relation(s)
2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229) is a N-acetylneuraminates (CHEBI:21619)
2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229) is conjugate base of 2-deoxy-2,3-dehydro-N-acetylneuraminic acid (CHEBI:28062)
Incoming Relation(s)
2-deoxy-2,3-dehydro-N-acetylneuraminic acid (CHEBI:28062) is conjugate acid of 2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229)
UniProt Name  Source
2-deoxy-2,3-dehydro-N-acetylneuraminateUniProt
Manual XrefsDatabases
CPD-23638MetaCyc