Summary

IMPPAT Phytochemical identifier: IMPHY017418

Phytochemical name: 1-Monolinolenoyl-rac-glycerol

Synonymous chemical names:
α-glyceryllinolenate

External chemical identifiers:
CID:5367328, ChEMBL:CHEMBL255922, ChEBI:75610, FDASRS:D653SPR2BC, SureChEMBL:SCHEMBL1580284, MolPort-001-740-419

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Chemical structure information

SMILES:
CC/C=CC/C=CC/C=CCCCCCCCC(=O)OCC(CO)O

InChI:
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-

InChIKey:
GGJRAQULURVTAJ-PDBXOOCHSA-N

DeepSMILES:
CC/C=CC/C=CC/C=CCCCCCCCC=O)OCCCO))O

Functional groups:
C/C=CC, 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: Monoacylglycerols

NP-Likeness score: 1.459

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Chemical structure download