Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002660

Phytochemical name: 13-Heptadecyn-1-ol

Synonymous chemical names:
13-heptadecyn-1-ol

External chemical identifiers:
CID:CID_557439, ChEBI:CHEBI:172494, ZINC:ZINC000032226451, SureChEMBL:SCHEMBL18614852

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Chemical structure information

SMILES:
OCCCCCCCCCCCCC#CCCC

InChI:
InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-3,6-17H2,1H3

InChIKey:
DZJZIJZUKAATIV-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCC#CCCC

Functional groups:
CO, CC#CC

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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: Fatty alcohols

NP-Likeness score: 0.879

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Chemical structure download