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CHEBI:221727 - Xenocockiamide A

Default Structure
ChEBI IDCHEBI:221727
ChEBI NameXenocockiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N2
Net Charge0
Average Mass266.388
Monoisotopic Mass266.17830
SMILESc1ccc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc1
InChIInChI=1S/C18H22N2/c1-3-7-15(8-4-1)11-17-13-20-18(14-19-17)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m0/s1
InChIKeyMHZXGSQZAQYQPG-ROUUACIJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus hancockii (ncbitaxon:1873369) - PubMed (33242032)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenocockiamide A (CHEBI:221727) is a aralkylamine (CHEBI:18000)
IUPAC Name 
(2S,5S)-2,5-dibenzylpiperazine
Manual XrefsDatabases
13077530ChemSpider