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
BindingDB Ligand 50170862
ChEMBL Ligand CHEMBL191055
GtoPdb PubChem SID 135650190
PubChem CID 10051843
RCSB PDB Ligand P8P
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