Tridecanedioic acid

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Systematic / IUPAC Name: Tridecanedioic acid

ID: Reference13853

Other Names: Brassylic acid;
AA-4133

Formula: C13H24O4

Class: Endogenous Metabolites

Spectral Data

Tridecanedioic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 154
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2026 9:59:47 AM
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Identificators

InChI InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChI Key DXNCZXXFRKPEPY-UHFFFAOYSA-N
Canonical SMILES O=C(O)CCCCCCCCCCCC(=O)O
CAS
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Other Names Brassylic acid;
AA-4133

In Other Databases

HMDb HMDB02327
ChEBI CHEBI:73718
LipidsMAPs LMFA01170014
PubChem 10458; 10458
ChEMBL CHEMBL3187746
ChemSpider 10026