geranylgeranyl diphosphate   

GtoPdb Ligand ID: 3052

Synonyms: all-trans-geranylgeranyl diphosphate | all-trans-geranylgeranyl-PP | geranylgeranyl pyrophosphate | geranylgeranyl-PP | GGPP
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 132.91
Molecular weight 450.19
XLogP 3.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(=CCCC(=CCOP(=O)(OP(=O)(O)O)O)C)CCC=C(CCC=C(C)C)C
Isomeric SMILES C/C(=C\CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/CC/C=C(/CCC=C(C)C)\C
InChI InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+
InChI Key OINNEUNVOZHBOX-QIRCYJPOSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
phosphono 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl hydrogen phosphate
Synonyms
all-trans-geranylgeranyl diphosphate | all-trans-geranylgeranyl-PP | geranylgeranyl pyrophosphate | geranylgeranyl-PP | GGPP
Database Links
CAS Registry No. 6699-20-3 (source: Scifinder)
ChEBI CHEBI:48861
ChEMBL Ligand CHEMBL1229266
DrugBank Ligand DB07841
GtoPdb PubChem SID 135651491
PubChem CID 447277
RCSB PDB Ligand GRG
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Search UniChem for chemicals with the same backbone OINNEUNVOZHBOX
SynPHARM 7185 (in complex with geranylgeranyl diphosphate synthase)
Wikipedia Geranylgeranyl_diphosphate