Summary

IMPPAT Phytochemical identifier: IMPHY000628

Phytochemical name: Hexadecadienoic acid

Synonymous chemical names:
hexadecadienoic acid

Chemical structure information

SMILES:
CCCCCCCCCCC/C=C/C=C/C(=O)O

InChI:
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/b13-12+,15-14+

InChIKey:
OOJGMLFHAQOYIL-SQIWNDBBSA-N

DeepSMILES:
CCCCCCCCCCC/C=C/C=C/C=O)O

Functional groups:
C/C=C/C=C/C(=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: 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: 1.408

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Chemical structure download