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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O4
Molecular Weight 142.1094
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MUCONIC ACID

SMILES

OC(=O)\C=C\C=C\C(O)=O

InChI

InChIKey=TXXHDPDFNKHHGW-ZPUQHVIOSA-N
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+

HIDE SMILES / InChI
Molecular Formula C6H6O4
Molecular Weight 142.1094
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

2013
596
PubMed

PubMed

TitleDatePubMed
Effect of dimethyl sulfoxide on the genotoxicity and metabolism of benzene in vivo.
1989 Mar
Cytotoxicity and DNA strand breaks induced by benzene and its metabolites in Chinese hamster ovary cells.
1996 May-Jun
Biological monitoring of vehicle mechanics and other workers exposed to low concentrations of benzene.
1997
Urinary excretion of phenol, catechol, hydroquinone, and muconic acid by workers occupationally exposed to benzene.
1998 Oct
Genetic polymorphisms influence variability in benzene metabolism in humans.
1999 Aug
Biomarkers of dose and susceptibility in cyclists exposed to monoaromatic hydrocarbons.
1999 Sep 5
Human urinary carcinogen metabolites: biomarkers for investigating tobacco and cancer.
2002 Jun
Urban benzene exposure and oxidative DNA damage: influence of genetic polymorphisms in metabolism genes.
2003 Jun 20
Rapid determination of six urinary benzene metabolites in occupationally exposed and unexposed subjects.
2004 Apr 15
The urine trans, trans muconic acid biomarker and platelet count in a sample of subjects with benzene exposure.
2004 Jan
In silico studies with human DNA topoisomerase-II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites.
2009 Feb 10
Patents

Patents

04031136
3
04480034
3
04608338
3
04968612
3
05726282
3
06458980
3
08367858
4
08367859
6
08415496
3
08426639
6
JP2000154249A
3
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:10:35 GMT 2023
Edited
by admin
on Fri Dec 15 19:10:35 GMT 2023
Record UNII
3KD92ZL2KH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MUCONIC ACID
MI  
Systematic Name English
NSC-16627
Code English
1,3-BUTADIENE-1,4-DICARBOXYLIC ACID
Systematic Name English
MUCONIC ACID (E,E)-
Common Name English
TRANS,TRANS-2,4-HEXADIENEDIOIC ACID
Systematic Name English
2,4-HEXADIENEDIOIC ACID
Systematic Name English
MUCONIC ACID (E,E)-FORM [MI]
Common Name English
TRANS,TRANS-MUCONIC ACID
Systematic Name English
MUCONIC ACID [MI]
Common Name English
NSC-66486
Code English
2,4-HEXADIENEDIOIC ACID, (2E,4E)-
Common Name English
2,4-HEXADIENEDIOIC ACID, TRANS,TRANS
Common Name English
Code System Code Type Description
CAS
3588-17-8
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
CHEBI
38407
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
CHEBI
27035
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-724-8
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-017-7
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
ALTERNATIVE
WIKIPEDIA
MUCONIC ACID
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
NSC
16627
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
MESH
C005939
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
FDA UNII
3KD92ZL2KH
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
CHEBI
27036
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID8049674
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
DAILYMED
3KD92ZL2KH
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
CAS
505-70-4
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
ALTERNATIVE
NCI_THESAURUS
C173419
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
MERCK INDEX
m7655
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY Merck Index
PUBCHEM
5356793
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
NSC
66486
Created by admin on Fri Dec 15 19:10:35 GMT 2023 , Edited by admin on Fri Dec 15 19:10:35 GMT 2023
PRIMARY
Related Record Type Details
Structure of BENZENE
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