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3PP : Summary

Code

3PP

One-letter code

X

Molecule name

3-PHOSPHONOPROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-phosphonopropanoic acid
OpenEye OEToolkits 1.5.0 3-phosphonopropanoic acid

Formula

C3 H7 O5 P

Formal charge

0

Molecular weight

154.058 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)

IUPAC InChI key

NLBSQHGCGGFVJW-UHFFFAOYSA-N
3PP

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-12-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned