Summary

IMPPAT Phytochemical identifier: IMPHY005783

Phytochemical name: 2-Hydroxydocosanoic acid

Synonymous chemical names:
2-hydroxydocosanoic acid, alpha-hydroxybehenic-acid

External chemical identifiers:
CID:193484, ChEBI:76980, FDASRS:18KZ2SK78L, SureChEMBL:SCHEMBL150881, MolPort-003-941-688

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCC(C(=O)O)O

InChI:
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)

InChIKey:
RPGJJWLCCOPDAZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)O))O

Functional groups:
CC(=O)O, CO

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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: Hydroxy fatty acids

NP-Likeness score: 0.628

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Chemical structure download