Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:15:56 UTC
Update Date2022-08-31 06:21:55 UTC
Metabolite IDMMDBc0004146
Metabolite Identification
Common NameLynamicin E
DescriptionLynamicin E belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Lynamicin E is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC24H18ClN3O4
Average Mass447.88
Monoisotopic Mass447.0985838
IUPAC Name2,5-dimethyl 3-(5-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
Traditional Namelynamicin E
CAS Registry NumberNot Available
SMILES
COC(=O)C1=C(C2=CNC3=CC=CC=C23)C(=C(N1)C(=O)OC)C1=CNC2=CC=C(Cl)C=C12
InChI Identifier
InChI=1S/C24H18ClN3O4/c1-31-23(29)21-19(15-10-26-17-6-4-3-5-13(15)17)20(22(28-21)24(30)32-2)16-11-27-18-8-7-12(25)9-14(16)18/h3-11,26-28H,1-2H3
InChI KeyKJGOESWUEDEYLP-UHFFFAOYSA-N