adenosine thiamine triphosphate

Chemical Formula:

C₂₂H₂₈N₉O₁₃P₃S

Molecular Weight:

751.497 Daltons

Monoisotopic Mass:

754.0974873491999 Daltons

SMILES:

CC4([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))=4)CC5(C(=NC(C)=NC=5)N))

InChI:

1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p-2/t14-,17-,18-,22-/m1/s1

InChIKey:

FGOYXNBJKMNPDH-SAJUPQAESA-L

Synonyms

AThTP

Databases

MetaCyc: CPD0-1095

ChEBI: 71393

PubChem (CID): 15938961

HMDB: HMDB13646

MetaNetX: MNXM8249