Summary

IMPPAT Phytochemical identifier: IMPHY017484

Phytochemical name: Methyl 2-methylhexacosanoate

Synonymous chemical names:
methyl 2-methyl hexacosanoate

External chemical identifiers:
CID:560278

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C

InChI:
InChI=1S/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28(29)30-3/h27H,4-26H2,1-3H3

InChIKey:
GIISEZSGTRPFSO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=O)OC)))C

Functional groups:
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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 0.314

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Chemical structure download