Summary

IMPPAT Phytochemical identifier: IMPHY016206

Phytochemical name: 13-Tetradecen-1-ol acetate

Synonymous chemical names:
13-tetradecen-1-ol acetate

External chemical identifiers:
CID:521718, SureChEMBL:SCHEMBL8463541

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Chemical structure information

SMILES:
C=CCCCCCCCCCCCCOC(=O)C

InChI:
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3H,1,4-15H2,2H3

InChIKey:
DZXBZPMJYIXTTI-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCCCCCOC=O)C

Functional groups:
C=CC, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.773

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Chemical structure download