Summary

IMPPAT Phytochemical identifier: IMPHY014676

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

Synonymous chemical names:
la-1

External chemical identifiers:
CID:135665555

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Chemical structure information

SMILES:
[O-]C(=O)/C=C/[CH+]C=C/C=C/C(=O)C

InChI:
InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H,1H3/b3-2?,7-5+,8-6+

InChIKey:
RWIJHDVNVFLSFB-OBMXKTCTSA-N

DeepSMILES:
[O-]C=O)/C=C/[CH+]C=C/C=C/C=O)C

Functional groups:
[CH+]/C=C/C(=O)[O-], [CH+]C=C/C=C/C(C)=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-Likeness score: 0.779

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Chemical structure download