Summary

IMPPAT Phytochemical identifier: IMPHY012615

Phytochemical name: 9-Eicosyne

Synonymous chemical names:
9-eicosyne, 9-icosyne

External chemical identifiers:
CID:557019, SureChEMBL:SCHEMBL7705498

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Chemical structure information

SMILES:
CCCCCCCCCCC#CCCCCCCCC

InChI:
InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-17,19H2,1-2H3

InChIKey:
ARULVMGJDAAVBD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC#CCCCCCCCC

Functional groups:
CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Acetylenes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.433

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Chemical structure download