Summary

IMPPAT Phytochemical identifier: IMPHY013863

Phytochemical name: Octanoate

Synonymous chemical names:
caprylate

External chemical identifiers:
CID:119389, ChEBI:25646

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Chemical structure information

SMILES:
CCCCCCCC(=O)[O-]

InChI:
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1

InChIKey:
WWZKQHOCKIZLMA-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCC=O)[O-]

Functional groups:
CC(=O)[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 acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 0.191

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Chemical structure download