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CHEBI:229228 - N-acetyl-2,7-anhydro-α-neuraminate

ChEBI IDCHEBI:229228
ChEBI NameN-acetyl-2,7-anhydro-α-neuraminate
Stars
ASCII NameN-acetyl-2,7-anhydro-alpha-neuraminate
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)CO)O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@@]1([H])O2
InChIInChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/p-1/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeyNCMJSVDTRDLWJE-YRMXFSIDSA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-2,7-anhydro-α-neuraminate (CHEBI:229228) is a N-acetylneuraminates (CHEBI:21619)
N-acetyl-2,7-anhydro-α-neuraminate (CHEBI:229228) is conjugate base of N-acetyl-2,7-anhydro-α-neuraminic acid (CHEBI:28695)
Incoming Relation(s)
N-acetyl-2,7-anhydro-α-neuraminic acid (CHEBI:28695) is conjugate acid of N-acetyl-2,7-anhydro-α-neuraminate (CHEBI:229228)
UniProt Name  Source
N-acetyl-2,7-anhydro-α-neuraminateUniProt
Manual XrefsDatabases
CPD-6182MetaCyc