2-oleoyl glycerol   

GtoPdb Ligand ID: 5112

Synonyms: 2-monoolein | 2-oleoyl-glycerol | 2-oleoylglycerol (2OG)
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 19
Topological polar surface area 66.76
Molecular weight 356.29
XLogP 7.13
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChI Key UPWGQKDVAURUGE-KTKRTIGZSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate
Synonyms
2-monoolein | 2-oleoyl-glycerol | 2-oleoylglycerol (2OG)
Database Links
CAS Registry No. 3443-84-3
ChEBI CHEBI:73990
ChEMBL Ligand CHEMBL3182200
GtoPdb PubChem SID 178101805
PubChem CID 5319879
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Wikipedia 2-oleoylglycerol