Chemical Components in the PDB

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7VD : Summary

Code

7VD

One-letter code

X

Molecule name

(2-oxopropyl)phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2-oxopropyl)phosphonic acid
OpenEye OEToolkits 2.0.6 2-oxidanylidenepropylphosphonic acid

Formula

C3 H7 O4 P

Formal charge

0

Molecular weight

138.059 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 P(O)(CC(C)=O)(O)=O
SMILES CACTVS 3.385 CC(=O)C[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.6 CC(=O)CP(=O)(O)O
Canonical SMILES CACTVS 3.385 CC(=O)C[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)CP(=O)(O)O

IUPAC InChI

InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)

IUPAC InChI key

DVSHXLWNRCEDCW-UHFFFAOYSA-N
7VD

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-07

Last modified at

2016-12-30

Status

Released

Obsoleted

Not Assigned