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Details

Stereochemistry ACHIRAL
Molecular Formula C8H13O4.Na
Molecular Weight 196.1762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOSODIUM SUBERATE

SMILES

[Na+].OC(=O)CCCCCCC([O-])=O

InChI

InChIKey=SLVJLFOSPGAWHC-UHFFFAOYSA-M
InChI=1S/C8H14O4.Na/c9-7(10)5-3-1-2-4-6-8(11)12;/h1-6H2,(H,9,10)(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H13O4
Molecular Weight 173.1864
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Suberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C6H12(COOH)2. It is present in the urine of patients with fatty acid oxidation disorders. A metabolic breakdown product derived from oleic acid. Elevated levels of this unstaruated dicarboxylic acid are found in individuals with medium-chain acyl-CoA dehydrogenase deficiency (MCAD). Suberic acid is also found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, which are also inborn errors of metabolism. Suberic Acid is used in the preparation of reduction-sensitive micelles affecting their cellular uptake. This has potential application in delivery of anticancer drugs. It is also used in the fluorescent detection of amidinium-carboxylate and amidinium formation.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Dicarboxylic aciduria: the response to fasting.
1979 May 16
Microbial transformation of bile acids. A unified scheme for bile acid degradation, and hydroxylation of bile acids.
1982
Prenatal diagnosis of glutaric aciduria type II by direct chemical analysis of dicarboxylic acids in amniotic fluid.
1984 Jan
Inhibition of HIV-1 proteinase by non-peptide carboxylates.
1991 Apr 15
Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease.
1991 Jan 2
Physiology and pathophysiology of organic acids in cerebrospinal fluid.
1993
Bissulfosuccinimidyl esters of aliphatic dicarboxylic acids: a new class of 'affinity directed' beta beta crosslinkers of HbA.
1994
Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.
1994 Jun
Measurements of urinary adipic acid and suberic acid using high-performance liquid chromatography.
1994 May 13
A GC/MS/MS screening method for multiple organic acidemias from urine specimens.
1999 May
Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism.
2001 Jun
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001 Mar
The first case of 4-hydroxybutyric aciduria in Japan.
2001 Mar
Steryl and stanyl esters of fatty acids by solvent-free esterification and transesterification in vacuo using lipases from Rhizomucor miehei, Candida antarctica, and Carica papaya.
2001 Nov
[Late-onset riboflavin-responsive multiple acyl-CoA dehydrogenase deficiency (glutaric aciduria type II)].
2003 Dec
Neuromuscular blocking activity and therapeutic potential of mixed-tetrahydroisoquinolinium halofumarates and halosuccinates in rhesus monkeys.
2003 Jun 5
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
2003 Oct
The first suberate lanthanum(III) complex without uncoordinated water.
2004 Aug
Solvent-mediated folding of a doubly charged anion.
2004 Jan 28
Bulk versus interfacial aqueous solvation of dicarboxylate dianions.
2004 Sep 22
Disuccinimidyl suberate cross-linked hemoglobin as a novel red blood cell substitute.
2005 Feb
Synthesis, Superoxide Dismutase Mimetic and Anticancer Activities of Metal Complexes of 2,2-Dimethylpentanedioic Acid(2dmepdaH(2)) and 3,3-Dimethylpentanedioic acid(3dmepdaH(2)): X-Ray Crystal Structures of [Cu(3dmepda)(bipy)](2). 6H(2)O and [Cu(2dmepda)(bipy)(EtOH)](2). 4EtOH (bipy = 2,2'Bipyridine).
2006
A dimeric cobalt(II)-suberate complex with 3-aminopyridine.
2006 Nov
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Host-guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations.
2007 Jul 28
Steroidogenic activity of StAR requires contact with mitochondrial VDAC1 and phosphate carrier protein.
2008 Apr 4
Determination of insulin in innovative formulations by means of LC coupled to fluorescence detection.
2008 Dec 15
(Heptanedioato-κO,O')bis-(1,10-phenanthroline-κN,N')zinc(II) hexa-hydrate.
2008 Mar 7
Metabolomic profiling of dietary-induced insulin resistance in the high fat-fed C57BL/6J mouse.
2008 Sep
Synthesis, Binding and Fluorescence Studies of Bis-2-amidopyrrole Receptors for Bis-carboxylate Anions.
2009
Radiation metabolomics. 3. Biomarker discovery in the urine of gamma-irradiated rats using a simplified metabolomics protocol of gas chromatography-mass spectrometry combined with random forests machine learning algorithm.
2009 Aug
New 2-methylimidazole-dicarboxylic acid molecular crystals: crystal structure and proton conductivity.
2009 Aug 26
Diaphorobacter oryzae sp. nov., isolated from a thiosulfate-oxidizing enrichment culture.
2009 Feb
2,2'-Hexamethyl-enedi-1,3-benzothia-zole.
2009 Jan 14
Metabolic profiling of Parkinson's disease: evidence of biomarker from gene expression analysis and rapid neural network detection.
2009 Jul 13
In Vitro and in Vivo Characterization of Molecular Interactions between Calmodulin, Ezrin/Radixin/Moesin, and L-selectin.
2009 Mar 27
Direct Repeat 6 from human herpesvirus-6B encodes a nuclear protein that forms a complex with the viral DNA processivity factor p41.
2009 Oct 15
2-Amino-6-methyl-1,3-benzothia-zole-octa-nedioic acid (2/1).
2009 Oct 23
Evidence for alternative quaternary structure in a bacterial Type III secretion system chaperone.
2010 Jul 15
Cow's milk allergy is associated with changes in urinary organic acid concentrations.
2010 Mar
Complete genome sequence of Nocardiopsis dassonvillei type strain (IMRU 509).
2010 Nov 30
Enhanced immunogenicity of stabilized trimeric soluble influenza hemagglutinin.
2010 Sep 1
Patents

Sample Use Guides

Oral, rat: LD50 >2000 mg/kg
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:11:32 GMT 2023
Edited
by admin
on Sat Dec 16 11:11:32 GMT 2023
Record UNII
Z4MK0NP0F0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOSODIUM SUBERATE
Systematic Name English
SUBERIC ACID, MONOSODIUM SALT
Common Name English
SODIUM SUBERATE (1:1)
Systematic Name English
MONOSODIUM 1,8-OCTANEDIOATE
Systematic Name English
OCTANEDIOIC ACID, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23705259
Created by admin on Sat Dec 16 11:11:32 GMT 2023 , Edited by admin on Sat Dec 16 11:11:32 GMT 2023
PRIMARY
CAS
59481-64-0
Created by admin on Sat Dec 16 11:11:32 GMT 2023 , Edited by admin on Sat Dec 16 11:11:32 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
Z4MK0NP0F0
Created by admin on Sat Dec 16 11:11:32 GMT 2023 , Edited by admin on Sat Dec 16 11:11:32 GMT 2023
PRIMARY
CAS
27796-70-9
Created by admin on Sat Dec 16 11:11:32 GMT 2023 , Edited by admin on Sat Dec 16 11:11:32 GMT 2023
PRIMARY