thiamine
Chemical Formula:
C12H17N4OS
Molecular Weight:
265.352 Daltons
Monoisotopic Mass:
265.1123068786 Daltons
SMILES:
CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
InChI:
1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
InChIKey:
Synonyms
- thiamin
- vitamin B1
- Aneurin
- Antiberiberi factor
Databases
MetaCyc:
THIAMINE
RefMet:
Thiamine
BiGG:
thm
MetaboLights:
MTBLC18385
HMDB:
HMDB00235
DRUGBANK:
DB00152
ChemSpider:
1098
PubChem (CID):
1130
ChEBI:
18385
KEGG:
C00378
MediaDB:
compounds/361/
MetaNetX:
MNXM322
NIKKAJI:
J203.781E
3DMET:
B00096
PDB-CCD:
VIB
KNApSAcK:
C00000775
CHEMBL:
CHEMBL1547
PupChem (SID):
3668