Summary

IMPPAT Phytochemical identifier: IMPHY007919

Phytochemical name: Dodecatrienoic acid

Synonymous chemical names:
dodecatrienoic acid

External chemical identifiers:
CID:87558245, SureChEMBL:SCHEMBL3684735

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Chemical structure information

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

InChI:
InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-11H,2-5H2,1H3,(H,13,14)/b7-6+,9-8+,11-10+

InChIKey:
QFQUMHBUJBZOBZ-OBWVEWQSSA-N

DeepSMILES:
CCCCC/C=C/C=C/C=C/C=O)O

Functional groups:
C/C=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: 1.886

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Chemical structure download