Chemical Components in the PDB

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PPF : Summary

Code

PPF

One-letter code

X

Molecule name

PHOSPHONOFORMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 dihydroxyphosphanecarboxylic acid oxide
OpenEye OEToolkits 1.5.0 phosphonomethanoic acid

Formula

C H3 O5 P

Formal charge

0

Molecular weight

126.005 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)P(=O)(O)O
SMILES CACTVS 3.341 OC(=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(=O)(O)P(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(O)P(=O)(O)O

IUPAC InChI

InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)

IUPAC InChI key

ZJAOAACCNHFJAH-UHFFFAOYSA-N
PPF

wwPDB Information

Atom count

10 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned