CHEBI:29006 - N-acetyl-4-O-acetylneuraminate

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ChEBI Name N-acetyl-4-O-acetylneuraminate
ChEBI ID CHEBI:29006
ChEBI ASCII Name N-acetyl-4-O-acetylneuraminate
Definition Conjugate base of N-acetyl-4-O-acetylneuraminic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Rafael Alc�ntara
Secondary ChEBI IDs CHEBI:12440, CHEBI:21495, CHEBI:58646, CHEBI:59449
Supplier Information
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Formulae C13H20NO10
C13H20NO10
Net Charge -1
Average Mass 350.29864
Monoisotopic Mass 350.10927
InChI InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/p-1/t7-,8+,9-,10-,11-,13+/m1/s1
InChIKey LVBIMVQYUKOENY-XAGGSGLKSA-M
SMILES [H][C@]1(O[C@@](O)(C[C@H](OC(C)=O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing N-acetyl-4-O-acetylneuraminate (CHEBI:29006) is a N-acetyl-O-acetylneuraminate (CHEBI:29065)
N-acetyl-4-O-acetylneuraminate (CHEBI:29006) is conjugate base of N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844)
Incoming N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844) is conjugate acid of N-acetyl-4-O-acetylneuraminate (CHEBI:29006)
IUPAC Name
5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosonate
Synonyms Sources
N,4-O-Diacetylneuraminate KEGG COMPOUND
N-acetyl-4-O-acetylneuraminate UniProt
Manual Xref Database
C04015 KEGG COMPOUND
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Last Modified
04 August 2014