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CHEBI:72762 - 6-hydroxytryprostatin B

ChEBI IDCHEBI:72762
ChEBI Name6-hydroxytryprostatin B
Stars
DefinitionA cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and hydroxy groups respectively.
Last Modified2 April 2013
SubmitterKAX
DownloadsMolfile
FormulaC21H25N3O3
Net Charge0
Average Mass367.449
Monoisotopic Mass367.18959
SMILES[H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)nc3cc(O)ccc13)NC2=O
InChIInChI=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
InChIKeyCBQDILZSSFDSDL-OALUTQOASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6-hydroxytryprostatin B (CHEBI:72762) has functional parent brevianamide F (CHEBI:64530)
6-hydroxytryprostatin B (CHEBI:72762) is a dipeptide (CHEBI:46761)
6-hydroxytryprostatin B (CHEBI:72762) is a indole alkaloid (CHEBI:38958)
6-hydroxytryprostatin B (CHEBI:72762) is a indoles (CHEBI:24828)
6-hydroxytryprostatin B (CHEBI:72762) is a pyrrolopyrazine (CHEBI:48337)
IUPAC Name 
(3S,8aS)-3-{[6-hydroxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Synonym  Source
desmethyltryprostatin ASUBMITTER
UniProt Name  Source
6-hydroxytryprostatin BUniProt
Registry NumbersSources
Reaxys:22406518Reaxys
Citations