CHEBI:182958 - NeuAc9Ac

ChEBI IDCHEBI:182958
ChEBI NameNeuAc9Ac
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SubmitterMetaboLights
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FormulaC13H21NO10
Net Charge0
Average Mass351.308
Monoisotopic Mass351.11655
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(C)=O)OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13?/m0/s1
InChIKeyNYWZBRWKDRMPAS-CHNADMEASA-N
ChEBI Ontology
Outgoing Relation(s)
NeuAc9Ac (CHEBI:182958) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
(4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
66423817ChemSpider
C04017KEGG COMPOUND