Summary

IMPPAT Phytochemical identifier: IMPHY014061

Phytochemical name: n-Hexacosanyl isovalerate

Synonymous chemical names:
n-hexacosanyl isovalerate

External chemical identifiers:
CID:5318034, ZINC:ZINC000085508105

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C)C

InChI:
InChI=1S/C31H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-31(32)29-30(2)3/h30H,4-29H2,1-3H3

InChIKey:
MFXZZHIZDYBJQM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCC)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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.173

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Chemical structure download