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Details

Stereochemistry ACHIRAL
Molecular Formula C5H6O4
Molecular Weight 130.0987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MESACONIC ACID

SMILES

C\C(=C/C(O)=O)C(O)=O

InChI

InChIKey=HNEGQIOMVPPMNR-NSCUHMNNSA-N
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+

HIDE SMILES / InChI

Molecular Formula C5H6O4
Molecular Weight 130.0987
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
New metabolites in isovaleric acidemia.
1981-03-05
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:35:18 GMT 2025
Edited
by admin
on Mon Mar 31 19:35:18 GMT 2025
Record UNII
90UTM639KK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-65438
Preferred Name English
MESACONIC ACID
MI  
Systematic Name English
TRANS-1-PROPENE-1,2-DICARBOXYLIC ACID
Common Name English
(2E)-2-METHYL-2-BUTENEDIOIC ACID
Systematic Name English
METHYLFUMARIC ACID
Systematic Name English
MESACONIC ACID [MI]
Common Name English
Code System Code Type Description
MESH
C073341
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
CAS
498-24-8
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
PUBCHEM
638129
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
FDA UNII
90UTM639KK
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
WIKIPEDIA
MESACONIC ACID
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-859-2
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
NSC
65438
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID10883407
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
CHEBI
16600
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY
MERCK INDEX
m7243
Created by admin on Mon Mar 31 19:35:18 GMT 2025 , Edited by admin on Mon Mar 31 19:35:18 GMT 2025
PRIMARY Merck Index