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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H9NO5
Molecular Weight 211.1715
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-TOPAQUINONE

SMILES

N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O

InChI

InChIKey=YWRFBISQAMHSIX-YFKPBYRVSA-N
InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11H,1,10H2,(H,14,15)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H9NO5
Molecular Weight 211.1715
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:44:44 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:44 GMT 2023
Record UNII
PAG3GKA51Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-TOPAQUINONE
Common Name English
(.ALPHA.S)-.ALPHA.-AMINO-6-HYDROXY-3,4-DIOXO-1,5-CYCLOHEXADIENE-1-PROPANOIC ACID
Systematic Name English
2',4',5'-TOPAQUINONE
Common Name English
6-HYDROXYDOPAQUINONE
Common Name English
1,5-CYCLOHEXADIENE-1-PROPANOIC ACID, .ALPHA.-AMINO-6-HYDROXY-3,4-DIOXO-, (.ALPHA.S)-
Systematic Name English
L-TOPAQUINONE RESIDUE
Common Name English
1,5-CYCLOHEXADIENE-1-PROPANOIC ACID, .ALPHA.-AMINO-6-HYDROXY-3,4-DIOXO-, (S)-
Systematic Name English
Code System Code Type Description
DRUG BANK
DB04334
Created by admin on Sat Dec 16 11:44:44 GMT 2023 , Edited by admin on Sat Dec 16 11:44:44 GMT 2023
PRIMARY
PUBCHEM
123871
Created by admin on Sat Dec 16 11:44:44 GMT 2023 , Edited by admin on Sat Dec 16 11:44:44 GMT 2023
PRIMARY
CAS
135791-48-9
Created by admin on Sat Dec 16 11:44:44 GMT 2023 , Edited by admin on Sat Dec 16 11:44:44 GMT 2023
PRIMARY
CHEBI
79027
Created by admin on Sat Dec 16 11:44:44 GMT 2023 , Edited by admin on Sat Dec 16 11:44:44 GMT 2023
PRIMARY
FDA UNII
PAG3GKA51Y
Created by admin on Sat Dec 16 11:44:44 GMT 2023 , Edited by admin on Sat Dec 16 11:44:44 GMT 2023
PRIMARY