Summary

IMPPAT Phytochemical identifier: IMPHY017668

Phytochemical name: Vinyl stearate

Synonymous chemical names:
vinyl stearate

External chemical identifiers:
CID:66077, ZINC:ZINC000059766779, FDASRS:F6L6TFV7BX, SureChEMBL:SCHEMBL20476, MolPort-001-781-483

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC=C

InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3

InChIKey:
AFSIMBWBBOJPJG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OC=C

Functional groups:
C=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-Likeness score: 0.551

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Chemical structure download