Summary

IMPPAT Phytochemical identifier: IMPHY015661

Phytochemical name: Ethyl crotonate

Synonymous chemical names:
ethyl 2-butenoate, ethyl crotonate

External chemical identifiers:
CID:429065, ChEMBL:CHEMBL3273403, ChEBI:173393, ZINC:ZINC000001680395, FDASRS:99YUC7A1X1, SureChEMBL:SCHEMBL24483, MolPort-001-784-290

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Chemical structure information

SMILES:
CCOC(=O)/C=C/C

InChI:
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+

InChIKey:
ZFDIRQKJPRINOQ-HWKANZROSA-N

DeepSMILES:
CCOC=O)/C=C/C

Functional groups:
C/C=C/C(=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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.609

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Chemical structure download