Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 07:36:35 UTC
Update Date2022-08-31 06:41:56 UTC
Metabolite IDMMDBc0017143
Metabolite Identification
Common Name6-hydroxytryprostatin
Description6-hydroxytryprostatin B, also known as desmethyltryprostatin a, 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. 6-hydroxytryprostatin B is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on 6-hydroxytryprostatin B.
Structure
Synonyms
ValueSource
Desmethyltryprostatin aChEBI
Molecular FormulaC21H25N3O3
Average Mass367.449
Monoisotopic Mass367.189591677
IUPAC Name(3S,8aS)-1-hydroxy-3-{[6-hydroxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
Traditional Name(3S,8aS)-1-hydroxy-3-{[6-hydroxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
CAS Registry NumberNot Available
SMILES
[H][C@@]12CCCN1C(=O)[C@]([H])(CC1=C(CC=C(C)C)NC3=C1C=CC(O)=C3)N=C2O
InChI Identifier
InChI=1S/C21H25N3O3/c1-12(2)5-8-16-15(14-7-6-13(25)10-17(14)22-16)11-18-21(27)24-9-3-4-19(24)20(26)23-18/h5-7,10,18-19,22,25H,3-4,8-9,11H2,1-2H3,(H,23,26)/t18-,19-/m0/s1
InChI KeyCBQDILZSSFDSDL-OALUTQOASA-N