Summary

IMPPAT Phytochemical identifier: IMPHY010402

Phytochemical name: 14-Hydroxy-heneicosanoic acid

Synonymous chemical names:
14-hydroxy heneicosanoic acid, 14-hydroxyheneicosanoic, 14-hydroxyheneicosanoic acid

External chemical identifiers:
CID:5312777, SureChEMBL:SCHEMBL16230521

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Chemical structure information

SMILES:
CCCCCCCC(CCCCCCCCCCCCC(=O)O)O

InChI:
InChI=1S/C21H42O3/c1-2-3-4-11-14-17-20(22)18-15-12-9-7-5-6-8-10-13-16-19-21(23)24/h20,22H,2-19H2,1H3,(H,23,24)

InChIKey:
ZMQDZMCVLNKHRX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC=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: 0.679

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Chemical structure download