Summary

IMPPAT Phytochemical identifier: IMPHY005673

Phytochemical name: Tridecanoate

Synonymous chemical names:
tridecanoate

External chemical identifiers:
CID:21932507, ChEBI:125832

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(=O)[O-]

InChI:
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)/p-1

InChIKey:
SZHOJFHSIKHZHA-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCCCCCCC=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: 0.127

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Chemical structure download