Summary

IMPPAT Phytochemical identifier: IMPHY005807

Phytochemical name: 9,12-Dioxo-10-dodecenoic acid

Synonymous chemical names:
9,12-dioxo-10z-dodecenoic acid

External chemical identifiers:
CID:21546209, SureChEMBL:SCHEMBL1374949

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Chemical structure information

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

InChI:
InChI=1S/C12H18O4/c13-10-6-8-11(14)7-4-2-1-3-5-9-12(15)16/h6,8,10H,1-5,7,9H2,(H,15,16)/b8-6+

InChIKey:
LVUYNXYHQBRFQF-SOFGYWHQSA-N

DeepSMILES:
O=C/C=C/C=O)CCCCCCCC=O)O

Functional groups:
CC(=O)/C=C/C=O, CC(=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: Oxo fatty acids

NP-Likeness score: 1.381

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Chemical structure download