Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 03:33:18 UTC
Update Date2022-08-31 06:33:37 UTC
Metabolite IDMMDBc0011829
Metabolite Identification
Common NamePolanrazine C
DescriptionPolanrazine C belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review very few articles have been published on Polanrazine C.
Structure
SynonymsNot Available
Molecular FormulaC17H21N3O3S
Average Mass347.43
Monoisotopic Mass347.130362722
IUPAC Name(3R,6R)-3-[(1H-indol-3-yl)methyl]-6-(methylsulfanyl)-6-(propan-2-yl)-3,6-dihydropyrazine-2,3,5-triol
Traditional Name(3R,6R)-3-(1H-indol-3-ylmethyl)-6-isopropyl-6-(methylsulfanyl)pyrazine-2,3,5-triol
CAS Registry NumberNot Available
SMILES
CS[C@]1(N=C(O)[C@](O)(CC2=CNC3=CC=CC=C23)N=C1O)C(C)C
InChI Identifier
InChI=1S/C17H21N3O3S/c1-10(2)17(24-3)15(22)19-16(23,14(21)20-17)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,18,23H,8H2,1-3H3,(H,19,22)(H,20,21)/t16-,17-/m1/s1
InChI KeyFGODJNBVEIONFS-IAGOWNOFSA-N