Summary

IMPPAT Phytochemical identifier: IMPHY017087

Phytochemical name: 1-Hexen-3-yne

Synonymous chemical names:
1-hexen-3-yne

External chemical identifiers:
CID:139568, ZINC:ZINC000002564049, SureChEMBL:SCHEMBL972050

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Chemical structure information

SMILES:
CCC#CC=C

InChI:
InChI=1S/C6H8/c1-3-5-6-4-2/h3H,1,4H2,2H3

InChIKey:
BYSRUWKGUGERFI-UHFFFAOYSA-N

DeepSMILES:
CCC#CC=C

Functional groups:
C=CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Enynes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.59

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Chemical structure download