U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N9O13P3S
Molecular Weight 753.512
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADENOSINE THIAMINE TRIPHOSPHATE

SMILES

CC1=C(CCOP([O-])(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=NC4=C3N=CN=C4N)SC=[N+]1CC5=CN=C(C)N=C5N

InChI

InChIKey=FGOYXNBJKMNPDH-SAJUPQAESA-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)/t14-,17-,18-,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ADENOSINE THIAMINE TRIPHOSPHATE
Common Name English
ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), P''-(2-(3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYLTHIAZOLIUM-5-YL)ETHYL) ESTER
Systematic Name English
Code System Code Type Description
CHEBI
71393
Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023
PRIMARY
FDA UNII
4TTL37ALN3
Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID40579927
Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023
PRIMARY
PUBCHEM
155923140
Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023
PRIMARY
CAS
801208-35-5
Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023
PRIMARY