EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71609 - albonoursin

Default Structure
ChEBI IDCHEBI:71609
ChEBI Namealbonoursin
Stars
DefinitionA member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which the two hydrogen at position 3 and those at position 6 are replaced by benzylidene and isobutylidene groups (the 3Z,6Z-geoisomer).
Last Modified3 August 2020
SubmitterKAX
DownloadsMolfile
FormulaC15H16N2O2
Net Charge0
Average Mass256.305
Monoisotopic Mass256.12118
SMILESCC(C)/C=c1\nc(=O)/c(=C/c2ccccc2)nc1=O
InChIInChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-
InChIKeyLCIIOYPBHIZBOD-JMVBYTIWSA-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)
albonoursin (CHEBI:71609) has role metabolite (CHEBI:25212)
albonoursin (CHEBI:71609) is a 2,5-diketopiperazines (CHEBI:65061)
IUPAC Name 
(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
Synonyms  Source
3-Benzylidene-6-isobutylidene-2,5-dioxopiperazineChemIDplus
cyclo(dehydroleucyl-dehydrophenylalanyl)ChEBI
cyclo(dehydrophenylalanyl-dehydroleucyl)ChEBI
cyclo(ΔLeu-ΔPhe)ChEBI
cyclo(ΔPhe-ΔLeu)ChEBI
UniProt Name  Source
albonoursinUniProt
Manual XrefsDatabases
CN101632367Patent
Registry NumbersSources
Reaxys:885385Reaxys
CAS:1222-90-8ChemIDplus
Citations