TRIDECANEDIOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H24O4
Molecular Weight	244.3273
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCCCCCCCCCC(O)=O

InChI

InChIKey=DXNCZXXFRKPEPY-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C13H24O4
Molecular Weight	244.3273
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2943344

Tridecanedioic acid or 1, 11-undecanedicarboxylic acid as an unusual product was determined in the urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Neonatal adrenoleukodystrophy 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2943344	Diagnostic		Natural Metabolite	Unknown Approved Use Unknown
Zellweger syndrome 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2943344	Diagnostic		Natural Metabolite	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Membrane bioreactor process of organic wastewater from brassylic acid manufacturing plant.	2001 Apr	11590734
Macrocyclic musk compounds--an absence of genotoxicity in the Ames test and the in vivo Micronucleus assay.	2002 Sep 5	12243874
Intracellular pH and metabolic activity of long-chain dicarylic acid-producing yeast Candida tropicalis.	2003	16233535
Synthesis and characterization of poly(dimer acid-brassylic acid) copolymer and poly(dimer acid-pentadecandioic acid) copolymer.	2004 Jun 15	15150800
[Search for yeast producers of brassylic and sebacic fatty acids].	2004 Sep-Oct	15553784
Crystal structure of the complex formed between a group I phospholipase A2 and a naturally occurring fatty acid at 2.7 A resolution.	2005 Feb	15659372
Controllable organization of a carboxylic acid type gemini surfactant at different pH values by adding Copper(II) ions.	2006 Oct 5	17004808
Determination of higher carboxylic acids in snow samples using solid-phase extraction and LC/MS-TOF.	2008 Dec	18958453

Patents

Sample Use Guides

In Vivo Use Guide

Toxicological Information for rabbits: LD50 dermal rabbit > 6000 mg/kg

Route of Administration: Transdermal

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:15:44 GMT 2023` Edited by `admin` on `Fri Dec 15 19:15:44 GMT 2023`
Record UNII	PL3IQ40C34
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TRIDECANEDIOIC ACID

Systematic Name

English

.ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID

Common Name

English

1,11-UNDECANEDICARBOXYLIC ACID

Systematic Name

English

NSC-9498

Code

English

1,13-TRIDECANEDIOIC ACID

Systematic Name

English

BRASSYLIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID9021683