U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 CITRACONIC ACID

SMILES

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

InChI

InChIKey=HNEGQIOMVPPMNR-IHWYPQMZSA-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 Mar 5
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 03:22:14 GMT 2023
Edited
by admin
on Sat Dec 16 03:22:14 GMT 2023
Record UNII
0RQ6CXO9KD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITRACONIC ACID
MI  
Systematic Name English
2-BUTENEDIOIC ACID, 2-METHYL-, (2Z)-
Common Name English
(2Z)-2-METHYL-2-BUTENEDIOIC ACID
Systematic Name English
CITRACONIC ACID [MI]
Common Name English
CITRACONATE
Common Name English
CIS-METHYLBUTENEDIOIC ACID
Common Name English
METHYLMALEIC ACID
Systematic Name English
NSC-32949
Code English
Code System Code Type Description
NSC
32949
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
RXCUI
1435287
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY RxNorm
CAS
498-23-7
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
CHEBI
30719
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
MERCK INDEX
m3590
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID601019903
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
PUBCHEM
643798
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
RXCUI
1435288
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
ALTERNATIVE
WIKIPEDIA
Citraconic acid
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
FDA UNII
0RQ6CXO9KD
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
DAILYMED
0RQ6CXO9KD
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
DRUG BANK
DB04734
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-858-7
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY
CHEBI
17626
Created by admin on Sat Dec 16 03:22:14 GMT 2023 , Edited by admin on Sat Dec 16 03:22:14 GMT 2023
PRIMARY