Summary

IMPPAT Phytochemical identifier: IMPHY017456

Phytochemical name: Henicosyl formate

Synonymous chemical names:
1-heneicosyl formate

External chemical identifiers:
CID:545651, SureChEMBL:SCHEMBL2855749

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCOC=O

InChI:
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23/h22H,2-21H2,1H3

InChIKey:
ZMGJNJFHZNMVCW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCOC=O

Functional groups:
COC=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: 0.328

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Chemical structure download