Summary

IMPPAT Phytochemical identifier: IMPHY014036

Phytochemical name: Dodecanoate

Synonymous chemical names:
laurate

External chemical identifiers:
CID:4149208, ChEBI:18262

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)[O-]

InChI:
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1

InChIKey:
POULHZVOKOAJMA-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCCCCCC=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: 0.137

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Chemical structure download