geranyl diphosphate   

GtoPdb Ligand ID: 3051

Synonyms: geranyl pyrophosphate | GPP | neryl pyrophosphate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 132.91
Molecular weight 314.07
XLogP 0.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(C)C
Isomeric SMILES C/C(=C\COP(=O)(OP(=O)(O)O)O)/CCC=C(C)C
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+
InChI Key GVVPGTZRZFNKDS-JXMROGBWSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
Synonyms
geranyl pyrophosphate | GPP | neryl pyrophosphate
Database Links
CAS Registry No. 763-10-0 (source: Scifinder)
ChEBI CHEBI:17211
ChEMBL Ligand CHEMBL41342
DrugBank Ligand DB02552
GtoPdb PubChem SID 135651490
PubChem CID 445995
RCSB PDB Ligand GPP
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Wikipedia Geranyl_diphosphate