thiamine phosphate

thiamine phosphate




Chemical Formula:
C12H16N4O4PS
Molecular Weight:
343.317 Daltons
Monoisotopic Mass:
345.078637287 Daltons
SMILES:
CC1([N+](=CSC(CCOP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))
InChI:
1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p-1
InChIKey:
HZSAJDVWZRBGIF-UHFFFAOYSA-M

Synonyms
  • TMP
  • thiamin monophosphate
  • thiamin phosphate
  • thiamin-P
  • thiamine-Pi
  • ThP
  • thiamine monophosphate

Databases
MetaCyc:  THIAMINE-P
RefMet:  Thiamine monophosphate
BiGG:  thmmp
MetaboLights:  MTBLC37575
HMDB:  HMDB02666
ChemSpider:  13085545
PubChem (CID):  15942892 3382778
ChEBI:  37575 9533
CAS:  532-40-1
KEGG:  C01081
Seed:  cpd00793
MetaNetX:  MNXM662
PupChem (SID):  4319
CHEMBL:  CHEMBL1236378
KNApSAcK:  C00019628
PDB-CCD:  TPS
3DMET:  B00237
NIKKAJI:  J221.489J