thiamine acetate
Chemical Formula:
C12H14N4O2S
Molecular Weight:
278.328 Daltons
Monoisotopic Mass:
279.0915714365 Daltons
SMILES:
CC1([N+](=CSC(CC(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))
InChI:
1S/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)
InChIKey:
Synonyms
- thiamine acetic acid
- 3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetate
- thiamin acetate
Databases
MetaCyc:
CPD-7101
ChemSpider:
5305766
ChEBI:
58438
PubChem (CID):
6931610
KEGG:
C02892
MetaNetX:
MNXM3715