Summary

IMPPAT Phytochemical identifier: IMPHY015031

Phytochemical name: Punicic acid

Synonymous chemical names:
oleostearic (trichosanic) acid, punicic acid, trichosanic acid

External chemical identifiers:
CID:5281126, ChEBI:8638, ZINC:ZINC000016343346, FDASRS:VFQ03H211O, SureChEMBL:SCHEMBL158967, MolPort-046-683-752

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Chemical structure information

SMILES:
CCCC/C=CC=CC=C/CCCCCCCC(=O)O

InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-

InChIKey:
CUXYLFPMQMFGPL-BGDVVUGTSA-N

DeepSMILES:
CCCC/C=CC=CC=C/CCCCCCCC=O)O

Functional groups:
C/C=CC=CC=C/C, CC(=O)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: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.275

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Chemical structure download