Summary

IMPPAT Phytochemical identifier: IMPHY012672

Phytochemical name: Hexadeca-7,10,13-trienoic acid

Synonymous chemical names:
hexadeca-7,10,13-trienoic acid

External chemical identifiers:
CID:2826712

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Chemical structure information

SMILES:
CCC=CCC=CCC=CCCCCCC(=O)O

InChI:
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)

InChIKey:
KBGYPXOSNDMZRV-UHFFFAOYSA-N

DeepSMILES:
CCC=CCC=CCC=CCCCCCC=O)O

Functional groups:
CC(=O)O, CC=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.509

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Chemical structure download