N-acetyl-7-O-acetylneuraminate

<i>N</i>-acetyl-7-<i>O</i>-acetylneuraminate




Chemical Formula:
C13H20NO10
Molecular Weight:
350.302 Daltons
Monoisotopic Mass:
351.1165459003 Daltons
SMILES:
CC(=O)NC1(C(CC(C(=O)[O-])(O)O[CH]1C(OC(C)=O)C(O)CO)O)
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-GRRZBWEESA-M

Synonyms
  • 7-O-acetyl-N-acetylneuraminate

Databases
MetaCyc:  CPD-1803
PubChem (CID):  122706640
HMDB:  HMDB00785
ChEBI:  28944
KEGG:  C04016
Seed:  cpd02488
MetaNetX:  MNXM4700