Summary

IMPPAT Phytochemical identifier: IMPHY005553

Phytochemical name: 18-Hydroxyoctadecanoic acid

Synonymous chemical names:
18-hydroxy stearic acid, 18-hydroxy-octadecanoic-acid, 18-hydroxy-octadecenoic-acid, 18-hydroxyoctadecanoic acid

External chemical identifiers:
CID:5282915, ChEBI:79182, FDASRS:CCR5P6ICT2, SureChEMBL:SCHEMBL16113, MolPort-046-782-722

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C18H36O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h19H,1-17H2,(H,20,21)

InChIKey:
VLHZUYUOEGBBJB-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCC=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: 0.466

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Chemical structure download