Summary

IMPPAT Phytochemical identifier: IMPHY016740

Phytochemical name: Methyl 3-hydroxyhexadecanoate

Synonymous chemical names:
methyl 3-hydroxyhexadecanoate

External chemical identifiers:
CID:103553, ChEMBL:CHEMBL2269935, ChEBI:29479, SureChEMBL:SCHEMBL1901941, MolPort-003-941-664

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(CC(=O)OC)O

InChI:
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3

InChIKey:
YBTWUESFQWFDMR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OC))))O

Functional groups:
CO, COC(C)=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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.786

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Chemical structure download