2-arachidonoylglycerolphosphoinositol   Click here for help

GtoPdb Ligand ID: 4029

Abbreviated name: 2-AGPI
Synonyms: 2-arachidonoyl-glycerol-phosphoinositol | arachidonoyl LPI
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 22
Topological polar surface area 216.08
Molecular weight 619.29
XLogP 4.76
No. Lipinski's rules broken 3
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)[O-])CO
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)[O-])CO
InChI InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)40-22(20-30)21-39-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/p-1/b7-6-,10-9-,13-12-,16-15-
InChI Key OKEQUIXTUXJQNT-DOFZRALJSA-M
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
[3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (2,3,4,5,6-pentahydroxycyclohexyl) phosphate
Synonyms Click here for help
2-arachidonoyl-glycerol-phosphoinositol | arachidonoyl LPI
Database Links Click here for help
GtoPdb PubChem SID 178100855
PubChem CID 73755068
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