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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H18N5O13P3
Molecular Weight 521.2076
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Adenosine, 5'(S)-methyl, 5'-triphosphate

SMILES

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N)[C@H](C)OP(O)(=O)OP(O)(=O)OP(O)(O)=O

InChI

InChIKey=DCRRZRVLEHSTSZ-ZGAAAFHUSA-N
InChI=1S/C11H18N5O13P3/c1-4(27-31(22,23)29-32(24,25)28-30(19,20)21)8-6(17)7(18)11(26-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4-,6-,7+,8+,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H18N5O13P3
Molecular Weight 521.2076
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:09:16 GMT 2023
Edited
by admin
on Sat Dec 16 20:09:16 GMT 2023
Record UNII
E8SWJ8XPH4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Adenosine, 5'(S)-methyl, 5'-triphosphate
Common Name English
9H-Purin-6-amine, 9-[6-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-L-talofuranosyl]-
Systematic Name English
9-[6-Deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-L-talofuranosyl]-9H-purin-6-amine
Systematic Name English
Code System Code Type Description
PUBCHEM
56932364
Created by admin on Sat Dec 16 20:09:16 GMT 2023 , Edited by admin on Sat Dec 16 20:09:16 GMT 2023
PRIMARY
FDA UNII
E8SWJ8XPH4
Created by admin on Sat Dec 16 20:09:16 GMT 2023 , Edited by admin on Sat Dec 16 20:09:16 GMT 2023
PRIMARY
CAS
100020-71-1
Created by admin on Sat Dec 16 20:09:16 GMT 2023 , Edited by admin on Sat Dec 16 20:09:16 GMT 2023
PRIMARY