Summary

IMPPAT Phytochemical identifier: IMPHY017419

Phytochemical name: 5-Undecen-3-yne

Synonymous chemical names:
5-undecen-3-yne

External chemical identifiers:
CID:5367385, SureChEMBL:SCHEMBL16633593

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Chemical structure information

SMILES:
CCCCC/C=C/C#CCC

InChI:
InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h10-11H,3-5,7,9H2,1-2H3/b11-10+

InChIKey:
HKGRHUQPBWLCLA-ZHACJKMWSA-N

DeepSMILES:
CCCCC/C=C/C#CCC

Functional groups:
CC#C/C=C/C

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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: 2.366

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Chemical structure download