Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 17:45:37 UTC
Update Date2022-08-31 06:53:33 UTC
Metabolite IDMMDBc0028121
Metabolite Identification
Common NameImizoquin A
DescriptionImizoquin A belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. Based on a literature review very few articles have been published on Imizoquin A.
Structure
SynonymsNot Available
Molecular FormulaC28H30N4O9
Average Mass566.567
Monoisotopic Mass566.201278562
IUPAC Name(2S)-2-({[(2S,10bS)-8-hydroxy-2-[(1H-indol-3-yl)methyl]-9-methoxy-3,7,10-trioxo-1H,2H,3H,5H,6H,7H,10H,10bH-imidazo[2,1-a]isoquinolin-5-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid
Traditional Name(2S)-2-({[(2S,10bS)-8-hydroxy-2-(1H-indol-3-ylmethyl)-9-methoxy-3,7,10-trioxo-1H,2H,5H,6H,10bH-imidazo[2,1-a]isoquinolin-5-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid
CAS Registry NumberNot Available
SMILES
[H]C(C)(CO)C[C@]([H])(N=C(O)C1([H])CC2=C(C(=O)C(OC)=C(O)C2=O)[C@@]2([H])N[C@@]([H])(CC3=CNC4=CC=CC=C34)C(=O)N12)C(O)=O
InChI Identifier
InChI=1S/C28H30N4O9/c1-12(11-33)7-18(28(39)40)31-26(37)19-9-15-20(22(35)24(41-2)23(36)21(15)34)25-30-17(27(38)32(19)25)8-13-10-29-16-6-4-3-5-14(13)16/h3-6,10,12,17-19,25,29-30,33,36H,7-9,11H2,1-2H3,(H,31,37)(H,39,40)/t12?,17-,18-,19?,25-/m0/s1
InChI KeyVBZJPJIHROQJKY-RVEUGTSSSA-N