Summary

IMPPAT Phytochemical identifier: IMPHY000131

Phytochemical name: 16-Hydroxyhexadecanoic acid

Synonymous chemical names:
16-hydroxy-hexadecanoic-acid, 16-hydroxyhexadecanoic acid, hexadecanoic acid, 16-hydroxy

External chemical identifiers:
CID:10466, ChEMBL:CHEMBL4281719, ChEBI:55328, ZINC:ZINC000003861297, FDASRS:7IPP3U0F3I, SureChEMBL:SCHEMBL153053, MolPort-003-927-214

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)

InChIKey:
UGAGPNKCDRTDHP-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCC=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: 0.515

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Chemical structure download