dioctanoylglycerol pyrophosphate   Click here for help

GtoPdb Ligand ID: 2916

Abbreviated name: DGPP
Synonyms: DGPP 8:0
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 22
Topological polar surface area 185.51
Molecular weight 504.19
XLogP 3.34
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(OP(=O)(O)O)O
Isomeric SMILES CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)COP(=O)(OP(=O)(O)O)O
InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
InChI Key MBDSUZSCJLRKPC-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(2R)-3-(hydroxy-phosphonooxyphosphoryl)oxy-2-octanoyloxypropyl] octanoate
Synonyms Click here for help
DGPP 8:0
Database Links Click here for help
Specialist databases
GPCRdb Ligand dioctanoylglycerol pyrophosphate
Other databases
BindingDB Ligand 50170862
ChEMBL Ligand CHEMBL191055
GtoPdb PubChem SID 135650190
PubChem CID 10051843
RCSB PDB Ligand P8P
Search Google for chemical match using the InChIKey MBDSUZSCJLRKPC-QGZVFWFLSA-N
Search Google for chemicals with the same backbone MBDSUZSCJLRKPC
UniChem Compound Search for chemical match using the InChIKey MBDSUZSCJLRKPC-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey MBDSUZSCJLRKPC-QGZVFWFLSA-N