Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003247

Phytochemical name: Undecanoic acid

Synonymous chemical names:
Undecanoic acid, undecanoicacid, Undecylic acid, n-undecanoic acid, hendecanoic acid, undecanoic acid, undecylic acid

External chemical identifiers:
CID:CID_8180, ChEMBL:CHEMBL108030, ChEBI:CHEBI:32368, ZINC:ZINC000001586297, FDASRS:138ON3IIQG, SureChEMBL:SCHEMBL9266, MolPort-000-881-069

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)O

InChI:
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

InChIKey:
ZDPHROOEEOARMN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-BS-BS003883, MSBNK-BS-BS003884, MSBNK-BS-BS003885

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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 Acids and Conjugates

NP Classifier Class: Branched fatty acids, Unsaturated fatty acids

NP-Likeness score: 0.533

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Chemical structure download