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Details

Stereochemistry RACEMIC
Molecular Formula C6H11O7P
Molecular Weight 226.1211
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PMPA

SMILES

OC(=O)CCC(CP(O)(O)=O)C(O)=O

InChI

InChIKey=ISEYJGQFXSTPMQ-UHFFFAOYSA-N
InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)

HIDE SMILES / InChI

Molecular Formula C6H11O7P
Molecular Weight 226.1211
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.3 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:18:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:18:10 GMT 2023
Record UNII
XH88WJG9LJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PMPA
Common Name English
2-(Phosphonomethyl)pentanedioic acid
Systematic Name English
Pentanedioic acid, 2-(phosphonomethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10130754
Created by admin on Sat Dec 16 19:18:10 GMT 2023 , Edited by admin on Sat Dec 16 19:18:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID90436036
Created by admin on Sat Dec 16 19:18:10 GMT 2023 , Edited by admin on Sat Dec 16 19:18:10 GMT 2023
PRIMARY
CAS
173039-10-6
Created by admin on Sat Dec 16 19:18:10 GMT 2023 , Edited by admin on Sat Dec 16 19:18:10 GMT 2023
PRIMARY
FDA UNII
XH88WJG9LJ
Created by admin on Sat Dec 16 19:18:10 GMT 2023 , Edited by admin on Sat Dec 16 19:18:10 GMT 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE