Summary

IMPPAT Phytochemical identifier: IMPHY014040

Phytochemical name: Decanoate

Synonymous chemical names:
caprate

External chemical identifiers:
CID:4678093, ChEBI:27689

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)[O-]

InChI:
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1

InChIKey:
GHVNFZFCNZKVNT-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCCCC=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: 0.159

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Chemical structure download