Summary

IMPPAT Phytochemical identifier: IMPHY006507

Phytochemical name: Docosenoic acid

Synonymous chemical names:
docosenoic acid

External chemical identifiers:
CID:6433893, ChEMBL:CHEMBL4284416, SureChEMBL:SCHEMBL3390292

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Chemical structure information

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

InChI:
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/b21-20+

InChIKey:
ATNNLHXCRAAGJS-QZQOTICOSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC/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: 0.726

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Chemical structure download