Summary

IMPPAT Phytochemical identifier: IMPHY015461

Phytochemical name: 9-Octadecyne

Synonymous chemical names:
9- octadecyne, 9-octadecyne

External chemical identifiers:
CID:141998, ZINC:ZINC000002600024, SureChEMBL:SCHEMBL513302

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Chemical structure information

SMILES:
CCCCCCCCC#CCCCCCCCC

InChI:
InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey:
NKRBWIXXEQOWRY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC#CCCCCCCCC

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: 0.481

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Chemical structure download