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CHEBI:72760 - tryprostatin B

ChEBI IDCHEBI:72760
ChEBI Nametryprostatin B
Stars
DefinitionA cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a prenyl group.
Last Modified2 April 2013
SubmitterKAX
DownloadsMolfile
FormulaC21H25N3O2
Net Charge0
Average Mass351.450
Monoisotopic Mass351.19468
SMILES[H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)nc3ccccc13)NC2=O
InChIInChI=1S/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1
InChIKeyGLWYBXPXOSKQAW-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)
tryprostatin B (CHEBI:72760) has functional parent brevianamide F (CHEBI:64530)
tryprostatin B (CHEBI:72760) is a dipeptide (CHEBI:46761)
tryprostatin B (CHEBI:72760) is a indole alkaloid (CHEBI:38958)
tryprostatin B (CHEBI:72760) is a indoles (CHEBI:24828)
tryprostatin B (CHEBI:72760) is a pyrrolopyrazine (CHEBI:48337)
IUPAC Name 
(3S,8aS)-3-{[2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Synonym  Source
triprostatin BChEBI
UniProt Name  Source
tryprostatin BUniProt
Registry NumbersSources
Reaxys:7389902Reaxys
Citations