Summary

IMPPAT Phytochemical identifier: IMPHY009938

Phytochemical name: 1-Eicosyne

Synonymous chemical names:
1-eicosyne, eicosyne, 1-

External chemical identifiers:
CID:13001, ChEMBL:CHEMBL1329983, SureChEMBL:SCHEMBL1470569

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC#C

InChI:
InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3

InChIKey:
BUSHLWVWPAEVMX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC#C

Functional groups:
C#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Acetylides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.195

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Chemical structure download