Summary

IMPPAT Phytochemical identifier: IMPHY017462

Phytochemical name: 3-Hexadecyne

Synonymous chemical names:
3-hexadecyne

External chemical identifiers:
CID:548886, SureChEMBL:SCHEMBL6467458

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Chemical structure information

SMILES:
CCCCCCCCCCCCC#CCC

InChI:
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-5,7,9-16H2,1-2H3

InChIKey:
HRFPRVYNMNOAQO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC#CCC

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: 0.663

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Chemical structure download