LPA   Click here for help

GtoPdb Ligand ID: 2906

Synonyms: 1-oleoyl-LPA | lysophosphatidic acid
Comment: LPA is small biogenic and endogenous phospholipid derivative in mammals which acts as a potent signaling molecule
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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)OCC(COP(=O)(O)O)O
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
InChI Key WRGQSWVCFNIUNZ-KTKRTIGZSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2-hydroxy-3-phosphonooxypropyl) (Z)-octadec-9-enoate
Synonyms Click here for help
1-oleoyl-LPA | lysophosphatidic acid
Database Links Click here for help
CAS Registry No. 22002-87-5 (source: Scifinder)
GtoPdb PubChem SID 135651509
PubChem CID 5497152
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Wikipedia Lysophosphatidic_acid