Chemical Components in the PDB

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1GP : Summary

Code

1GP

One-letter code

X

Molecule name

SN-GLYCEROL-1-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2,3-dihydroxypropyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 [(2S)-2,3-dihydroxypropyl] dihydrogen phosphate

Formula

C3 H9 O6 P

Formal charge

0

Molecular weight

172.074 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)CO
SMILES CACTVS 3.341 OC[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](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)/t3-/m0/s1

IUPAC InChI key

AWUCVROLDVIAJX-VKHMYHEASA-N
1GP

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-12-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned