Summary

IMPPAT Phytochemical identifier: IMPHY016181

Phytochemical name: 1,3-Pentadiyne

Synonymous chemical names:
1,3-pentadiyne

External chemical identifiers:
CID:138385, SureChEMBL:SCHEMBL968524

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Chemical structure information

SMILES:
CC#CC#C

InChI:
InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3

InChIKey:
VNMDYSSJFJFEQI-UHFFFAOYSA-N

DeepSMILES:
CC#CC#C

Functional groups:
C#CC#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: 2.384

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Chemical structure download