Summary

IMPPAT Phytochemical identifier: IMPHY013185

Phytochemical name: 27-Methyl-1,3-octacosanediol

Synonymous chemical names:
27-methyloctacosane-1,3-diol

External chemical identifiers:
CID:14213362

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Chemical structure information

SMILES:
OCCC(CCCCCCCCCCCCCCCCCCCCCCCC(C)C)O

InChI:
InChI=1S/C29H60O2/c1-28(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29(31)26-27-30/h28-31H,3-27H2,1-2H3

InChIKey:
LNVQHWPPLCJFEL-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C)))))))))))))))))))))))))O

Functional groups:
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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.635

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Chemical structure download