Summary

IMPPAT Phytochemical identifier: IMPHY012611

Phytochemical name: 7-Hexadecyn-1-ol

Synonymous chemical names:
7-hexadecyn-1-ol

External chemical identifiers:
CID:549047, ZINC:ZINC000002579260, SureChEMBL:SCHEMBL2802419

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Chemical structure information

SMILES:
CCCCCCCCC#CCCCCCCO

InChI:
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-8,11-16H2,1H3

InChIKey:
UFLJPANUONDNPT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC#CCCCCCCO

Functional groups:
CC#CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.807

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Chemical structure download