Chemical Components in the PDB

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GP9 : Summary

Code

GP9

One-letter code

X

Molecule name

(2R)-2,3-dihydroxypropyl phosphate

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2,3-dihydroxypropyl phosphate
OpenEye OEToolkits 1.6.1 2,3-dihydroxypropyl phosphate

Formula

C3 H7 O6 P

Formal charge

-2

Molecular weight

170.058 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]P([O-])(=O)OCC(O)CO
SMILES CACTVS 3.352 OC[CH](O)CO[P]([O-])([O-])=O
SMILES OpenEye OEToolkits 1.6.1 C(C(COP(=O)([O-])[O-])O)O
Canonical SMILES CACTVS 3.352 OC[C@@H](O)CO[P]([O-])([O-])=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C(C(COP(=O)([O-])[O-])O)O

IUPAC InChI

InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1

IUPAC InChI key

AWUCVROLDVIAJX-GSVOUGTGSA-L
GP9

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2008-12-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned