CHEBI:28944 - N-acetyl-7-O-acetylneuraminate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-7-O-acetylneuraminate
ChEBI ID CHEBI:28944
ChEBI ASCII Name N-acetyl-7-O-acetylneuraminate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7107, CHEBI:21497
Supplier Information
Download Molfile XML SDF
Formula C13H20NO10
Net Charge -1
Average Mass 350.29864
Monoisotopic Mass 350.10927
InChI InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/p-1/t7-,8?,9+,10?,11+,13-/m0/s1
InChIKey DUOKWMWKFGDUDQ-ZXQYLZRESA-M
SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1C(OC(C)=O)C(O)CO)C([O-])=O
ChEBI Ontology
Outgoing N-acetyl-7-O-acetylneuraminate (CHEBI:28944) is a N-acetyl-O-acetylneuraminate (CHEBI:29065)
N-acetyl-7-O-acetylneuraminate (CHEBI:28944) is conjugate base of N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498)
Incoming N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498) is conjugate acid of N-acetyl-7-O-acetylneuraminate (CHEBI:28944)
IUPAC Name
5-acetamido-7-O-acetyl-3,5-dideoxy-β-D-galacto-non-2-ulopyranosonate
Synonyms Sources
N,7-O-Diacetylneuraminate KEGG COMPOUND
N-Acetyl-7-O-acetylneuraminate KEGG COMPOUND
N-acetyl-7-O-acetylneuraminate UniProt
Manual Xref Database
C04016 KEGG COMPOUND
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Last Modified
23 May 2017