Chemical Components in the PDB

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GPP : Summary

Code

GPP

One-letter code

X

Molecule name

GERANYL DIPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
OpenEye OEToolkits 1.5.0 [(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate

Formula

C10 H20 O7 P2

Formal charge

0

Molecular weight

314.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O)(O)O
SMILES CACTVS 3.341 CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C
Canonical SMILES CACTVS 3.341 CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C

IUPAC InChI

InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+

IUPAC InChI key

GVVPGTZRZFNKDS-JXMROGBWSA-N
GPP

wwPDB Information

Atom count

39 (19 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