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CHEBI:71596 - mycocyclosin

ChEBI IDCHEBI:71596
ChEBI Namemycocyclosin
Stars
DefinitionAn organic heterotetracyclic compound obtained via intramolecular oxidative aromatic coupling of cyclo(L-tyrosyl-L-tyrosyl).
Last Modified7 May 2013
SubmitterKAX
DownloadsMolfile
FormulaC18H16N2O4
Net Charge0
Average Mass324.336
Monoisotopic Mass324.11101
SMILESO=C1N[C@H]2Cc3ccc(O)c(c3)-c3cc(ccc3O)C[C@@H]1NC2=O
InChIInChI=1S/C18H16N2O4/c21-15-3-1-9-5-11(15)12-6-10(2-4-16(12)22)8-14-18(24)19-13(7-9)17(23)20-14/h1-6,13-14,21-22H,7-8H2,(H,19,24)(H,20,23)/t13-,14-/m0/s1
InChIKeyPYDUENRHWXNYLP-KBPBESRZSA-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)
mycocyclosin (CHEBI:71596) has functional parent cyclo(L-tyrosyl-L-tyrosyl) (CHEBI:65063)
mycocyclosin (CHEBI:71596) has role metabolite (CHEBI:25212)
mycocyclosin (CHEBI:71596) is a 2,5-diketopiperazines (CHEBI:65061)
mycocyclosin (CHEBI:71596) is a organic heterotetracyclic compound (CHEBI:38163)
mycocyclosin (CHEBI:71596) is a polyphenol (CHEBI:26195)
IUPAC Name 
(1S,14S)-6,9-dihydroxy-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,8(19),9,11-hexaene-16,18-dione
UniProt Name  Source
mycoclysinUniProt
Registry NumbersSources
Reaxys:22555887Reaxys
Citations