CHEBI:71596 - mycocyclosin

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ChEBI Name mycocyclosin
ChEBI ID CHEBI:71596
Definition An organic heterotetracyclic compound obtained via intramolecular oxidative aromatic coupling of cyclo(L-tyrosyl-L-tyrosyl).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C18H16N2O4
Net Charge 0
Average Mass 324.33060
Monoisotopic Mass 324.11101
InChI InChI=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
InChIKey PYDUENRHWXNYLP-KBPBESRZSA-N
SMILES Oc1ccc2C[C@@H]3NC(=O)[C@H](Cc4ccc(O)c(c4)-c1c2)NC3=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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonym Source
mycoclysin UniProt
Registry Number Type Source
22555887 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19416919 PubMed citation SUBMITTER
20690619 PubMed citation Europe PMC
22519727 PubMed citation Europe PMC
Last Modified
07 May 2013