Summary

IMPPAT Phytochemical identifier: IMPHY016692

Phytochemical name: Isoamyl decanoate

Synonymous chemical names:
isoamyl decanoate

External chemical identifiers:
CID:75320, ChEBI:172090, ZINC:ZINC000001841324, FDASRS:Z10YO60833, SureChEMBL:SCHEMBL334155, MolPort-006-114-191

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)OCCC(C)C

InChI:
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3

InChIKey:
XDOGFYDZGUDBQY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)OCCCC)C

Functional groups:
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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.304

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Chemical structure download