Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011990

Phytochemical name: (2E,7E)-9-oxodeca-2,4,5,7-tetraenoic acid

Synonymous chemical names:
(2E,7E)-9-oxodeca-2,4,5,7-tetraenoic acid, la-1

External chemical identifiers:
CID:CID_5312885

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Chemical structure information

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

InChI:
InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h3-8H,1H3,(H,12,13)/b7-5+,8-6+

InChIKey:
WLUIOVBNENBQAH-KQQUZDAGSA-N

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

Functional groups:
CC(=O)/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: 1.331

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Chemical structure download