2-oleoyl-LPA   Click here for help

GtoPdb Ligand ID: 2936

Synonyms: 2-acyl-1LPA | 2Acyl-LPA
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 21
Topological polar surface area 123.1
Molecular weight 436.26
XLogP 5.9
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OC(COP(=O)(O)O)CO
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO
InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
InChI Key ZOOLJLSXNRZLDH-KTKRTIGZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
{3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid
Synonyms Click here for help
2-acyl-1LPA | 2Acyl-LPA
Database Links Click here for help
GtoPdb PubChem SID 135649710
PubChem CID 56947016
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