Summary

IMPPAT Phytochemical identifier: IMPHY012817

Phytochemical name: Oleoyl

Synonymous chemical names:
oleoyl

External chemical identifiers:
CID:5353734, ChEMBL:CHEMBL191896

---

Chemical structure information

SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)[O-])O.[Na+]

InChI:
InChI=1S/C21H41O7P.Na/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);/q;+1/p-1/b10-9+;

InChIKey:
XGRLSUFHELJJAB-RRABGKBLSA-M

DeepSMILES:
CCCCCCCC/C=C/CCCCCCCC=O)OCCCOP=O)O)[O-]))))O.[Na+]

Functional groups:
C/C=C/C, CO, COC(C)=O, COP(=O)([O-])O, [Na+]

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerophospholipids

ClassyFire Subclass: Glycerophosphates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerophospholipids

NP Classifier Class: Glycerophosphates

NP-Likeness score: 0.862

---

Chemical structure download