CHEBI:72762 - 6-hydroxytryprostatin B

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ChEBI Name 6-hydroxytryprostatin B
ChEBI ID CHEBI:72762
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O3
Net Charge 0
Average Mass 367.44150
Monoisotopic Mass 367.18959
InChI 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
InChIKey CBQDILZSSFDSDL-OALUTQOASA-N
SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3cc(O)ccc13)NC2=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
6-hydroxytryprostatin B UniProt
desmethyltryprostatin A SUBMITTER
Registry Number Type Source
22406518 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19226505 PubMed citation SUBMITTER
19763315 PubMed citation SUBMITTER
22344914 PubMed citation Europe PMC
Last Modified
02 April 2013