Summary

IMPPAT Phytochemical identifier: IMPHY005561

Phytochemical name: 2-Dodecenoic acid

Synonymous chemical names:
(e)-2-dodecenoic acid, 2-dodecenoic acid, 2-dodecenoic-acid, dodec-2-enoic acid, dodecenoic acid, trans-2-dodecenoic acid

External chemical identifiers:
CID:5282729, ChEMBL:CHEMBL4281333, ChEBI:37162, ZINC:ZINC000001689827, SureChEMBL:SCHEMBL248281, MolPort-001-781-851

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Chemical structure information

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

InChI:
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+

InChIKey:
PAWGRNGPMLVJQH-ZHACJKMWSA-N

DeepSMILES:
CCCCCCCCC/C=C/C=O)O

Functional groups:
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: 1.244

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Chemical structure download