Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

3PO : Summary

Code

3PO

One-letter code

X

Molecule name

TRIPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 triphosphoric acid
OpenEye OEToolkits 1.5.0 diphosphono hydrogen phosphate

Formula

H5 O10 P3

Formal charge

0

Molecular weight

257.955 Da

SMILES

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

IUPAC InChI

InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)

IUPAC InChI key

UNXRWKVEANCORM-UHFFFAOYSA-N
3PO

wwPDB Information

Atom count

18 (13 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