Summary

IMPPAT Phytochemical identifier: IMPHY007212

Phytochemical name: Docosanoic acid

Synonymous chemical names:
behenic, behenic acid, behenic-acid, behenicacid(c22_0), docosanoic acid, docosanoic acid,, n-docosanoic acid

External chemical identifiers:
CID:8215, ChEMBL:CHEMBL1173474, ChEBI:28941, ZINC:ZINC000006920378, FDASRS:H390488X0A, SureChEMBL:SCHEMBL6579, MolPort-000-715-762

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChIKey:
UKMSUNONTOPOIO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
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: 0.289

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Chemical structure download