Summary

IMPPAT Phytochemical identifier: IMPHY014038

Phytochemical name: Hexanoate

Synonymous chemical names:
caproate

External chemical identifiers:
CID:4398339, ChEBI:17120

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Chemical structure information

SMILES:
CCCCCC(=O)[O-]

InChI:
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1

InChIKey:
FUZZWVXGSFPDMH-UHFFFAOYSA-M

DeepSMILES:
CCCCCC=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: Oxygenated hydrocarbons

NP-Likeness score: 0.106

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Chemical structure download