Summary

IMPPAT Phytochemical identifier: IMPHY006396

Phytochemical name: Pentadecyl acrylate

Synonymous chemical names:
pentadecyl acrylate

External chemical identifiers:
CID:543579, SureChEMBL:SCHEMBL77888

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCOC(=O)C=C

InChI:
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(19)4-2/h4H,2-3,5-17H2,1H3

InChIKey:
GOZDOXXUTWHSKU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCOC=O)C=C

Functional groups:
C=CC(=O)OC

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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: 0.354

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Chemical structure download