Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017944

Phytochemical name: 3,5-Nonadiyne

Synonymous chemical names:
3,5-Nonadiyne

External chemical identifiers:
CID:CID_185922

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Chemical structure information

SMILES:
CCCC#CC#CCC

InChI:
InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-5H2,1-2H3

InChIKey:
CSPPPXQLLNDWIT-UHFFFAOYSA-N

DeepSMILES:
CCCC#CC#CCC

Functional groups:
CC#CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.485

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Chemical structure download