Summary

IMPPAT Phytochemical identifier: IMPHY013489

Phytochemical name: Methyl 8,16-dihydroxyhexadecanoate

Synonymous chemical names:
methyl 8,16-dihydroxyhexadecanoate

External chemical identifiers:
CID:54396466

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Chemical structure information

SMILES:
OCCCCCCCCC(CCCCCCC(=O)OC)O

InChI:
InChI=1S/C17H34O4/c1-21-17(20)14-10-6-5-9-13-16(19)12-8-4-2-3-7-11-15-18/h16,18-19H,2-15H2,1H3

InChIKey:
VKHWETGILILUMN-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCC=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: 0.857

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Chemical structure download