Chemical Components in the PDB

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3PG : Summary

Code

3PG

One-letter code

X

Molecule name

3-PHOSPHOGLYCERIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-hydroxy-3-(phosphonooxy)propanoic acid
OpenEye OEToolkits 1.5.0 (2R)-2-hydroxy-3-phosphonooxy-propanoic acid

Formula

C3 H7 O7 P

Formal charge

0

Molecular weight

186.057 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(=O)O
SMILES CACTVS 3.341 O[CH](CO[P](O)(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H](CO[P](O)(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H](C(=O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

IUPAC InChI key

OSJPPGNTCRNQQC-UWTATZPHSA-N
3PG

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned