Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004406

Phytochemical name: Azelaic acid

Synonymous chemical names:
nonanedioic acid, nonanedioic-acid, azelaic acid

External chemical identifiers:
CID:CID_2266, ChEMBL:CHEMBL1238, ChEBI:CHEBI:48131, ZINC:ZINC000001531036, FDASRS:F2VW3D43YT, SureChEMBL:SCHEMBL3887, MolPort-001-779-873

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Chemical structure information

SMILES:
OC(=O)CCCCCCCC(=O)O

InChI:
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

InChIKey:
BDJRBEYXGGNYIS-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Keio_Univ-KO000127, MSBNK-Keio_Univ-KO000126, MSBNK-Keio_Univ-KO000124, MSBNK-Keio_Univ-KO000123, MSBNK-Keio_Univ-KO000125

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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: Dicarboxylic acids

NP-Likeness score: 0.433

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Chemical structure download