Summary

IMPPAT Phytochemical identifier: IMPHY017350

Phytochemical name: cis-4-Dodecenoic acid

Synonymous chemical names:
cis-dodec-4-enoic acid

External chemical identifiers:
CID:5316956, FDASRS:18013PJU2H, SureChEMBL:SCHEMBL371504

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Chemical structure information

SMILES:
CCCCCCC/C=CCCC(=O)O

InChI:
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-9H,2-7,10-11H2,1H3,(H,13,14)/b9-8-

InChIKey:
GCORITRBZMICMI-HJWRWDBZSA-N

DeepSMILES:
CCCCCCC/C=CCCC=O)O

Functional groups:
C/C=CC, 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: Unsaturated fatty acids

NP-Likeness score: 1.451

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Chemical structure download