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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N5O13P3.2Mg
Molecular Weight 551.7593
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADENOSINE TRIPHOSPHATE MAGNESIUM

SMILES

[Mg++].[Mg++].NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O

InChI

InChIKey=YGXMYKTZDMYISM-IDIVVRGQSA-J
InChI=1S/C10H16N5O13P3.2Mg/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+2/p-4/t4-,6-,7-,10-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12N5O13P3
Molecular Weight 503.1493
Charge -4
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:53:20 GMT 2025
Edited
by admin
on Wed Apr 02 10:53:20 GMT 2025
Record UNII
854K3B9A86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADENOSINE TRIPHOSPHATE MAGNESIUM
Common Name English
ATP DIMAGNESIUM SALT
Preferred Name English
ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), MAGNESIUM SALT (1:2)
Systematic Name English
Adenosine triphosphate magnesium [WHO-DD]
Common Name English
MAGNESIUM, BIS(ADENOSINE 5'-TRIPHOSPHATATO)-
Common Name English
Code System Code Type Description
CAS
74804-12-9
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
PUBCHEM
18666496
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
FDA UNII
854K3B9A86
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID30585077
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY