Summary

IMPPAT Phytochemical identifier: IMPHY007581

Phytochemical name: 1,2-Dilinoleoyl-sn-glycerol

Synonymous chemical names:
1-o-(9z-12z-octadecadienoyl)-2-o-(9z,12z-octadecadienoyl) glycerol

External chemical identifiers:
CID:9543729, ChEBI:77127, ZINC:ZINC000040164824, FDASRS:092781L31G, SureChEMBL:SCHEMBL6524506, MolPort-046-426-747

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Chemical structure information

SMILES:
CCCCC/C=CC/C=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=CC/C=CCCCCC)CO

InChI:
InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t37-/m0/s1

InChIKey:
MQGBAQLIFKSMEM-ZHARMHCNSA-N

DeepSMILES:
CCCCC/C=CC/C=CCCCCCCCC=O)OC[C@@H]OC=O)CCCCCCC/C=CC/C=CCCCCC)))))))))))))))))))CO

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Diacylglycerols

NP-Likeness score: 0.854

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Chemical structure download