Summary

IMPPAT Phytochemical identifier: IMPHY014483

Phytochemical name: SN-Glycerol-1-eicosa-9,12-dienoate-2-palmitoleate-3-linoleate

Synonymous chemical names:
sn-glycerol-1-eicosa-9,12-dienoate-2-palmitoleate-3-linoleate

External chemical identifiers:
CID:76313033, ChEMBL:CHEMBL2288886

---

Chemical structure information

SMILES:
OC(=O)CCCCCCC/C=CCCCCCCOC(COCCCCC/C=CC/C=CCCCCCCCC(=O)O)COCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C56H102O9/c57-54(58)45-39-33-27-21-15-9-4-1-2-6-12-18-24-30-36-42-48-63-51-53(65-50-44-38-32-26-20-14-8-11-17-23-29-35-41-47-56(61)62)52-64-49-43-37-31-25-19-13-7-3-5-10-16-22-28-34-40-46-55(59)60/h3,5,8,13-14,19,53H,1-2,4,6-7,9-12,15-18,20-52H2,(H,57,58)(H,59,60)(H,61,62)/b5-3-,14-8-,19-13-

InChIKey:
WCHVHIDODQSZQQ-VEWCSRGFSA-N

DeepSMILES:
OC=O)CCCCCCC/C=CCCCCCCOCCOCCCCC/C=CC/C=CCCCCCCCC=O)O)))))))))))))))))))))COCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
C/C=CC, CC(=O)O, COC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Tricarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerophospholipids

NP Classifier Class: Oxidized glycerophospholipids

NP-Likeness score: 0.367

---

Chemical structure download