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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O6
Molecular Weight 200.1455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 5-formyl-2-hydroxyhepta-2,4-dienedioic acid

SMILES

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

InChI

InChIKey=NLXIEJRQAIHYPN-IOBHVTPZSA-N
InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2-

HIDE SMILES / InChI

Molecular Formula C8H8O6
Molecular Weight 200.1455
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:08:39 GMT 2023
Edited
by admin
on Sat Dec 16 13:08:39 GMT 2023
Record UNII
TPB4DY2NWT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Systematic Name English
5-Formyl-2-hydroxy-2,4-heptadienedioic acid
Systematic Name English
2-HYDROXY-5-CARBOXYMETHYLMUCONATE SEMIALDEHYDE
Common Name English
NSC-318505
Code English
2,4-Heptadienedioic acid, 5-formyl-2-hydroxy-
Systematic Name English
5-Carboxymethyl-2-hydroxymuconic semialdehyde
Systematic Name English
Code System Code Type Description
CHEBI
58030
Created by admin on Sat Dec 16 13:08:39 GMT 2023 , Edited by admin on Sat Dec 16 13:08:39 GMT 2023
PRIMARY
CAS
2461-62-3
Created by admin on Sat Dec 16 13:08:39 GMT 2023 , Edited by admin on Sat Dec 16 13:08:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID801252143
Created by admin on Sat Dec 16 13:08:39 GMT 2023 , Edited by admin on Sat Dec 16 13:08:39 GMT 2023
PRIMARY
FDA UNII
TPB4DY2NWT
Created by admin on Sat Dec 16 13:08:39 GMT 2023 , Edited by admin on Sat Dec 16 13:08:39 GMT 2023
PRIMARY
NSC
318505
Created by admin on Sat Dec 16 13:08:39 GMT 2023 , Edited by admin on Sat Dec 16 13:08:39 GMT 2023
PRIMARY
CHEBI
17142
Created by admin on Sat Dec 16 13:08:39 GMT 2023 , Edited by admin on Sat Dec 16 13:08:39 GMT 2023
PRIMARY