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CHEBI:230038 - Azetirelin

ChEBI IDCHEBI:230038
ChEBI NameAzetirelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20N6O4
Net Charge0
Average Mass348.363
Monoisotopic Mass348.15460
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cncn1)NC(=O)[C@@H]1CC(=O)N1
InChIInChI=1S/C15H20N6O4/c16-13(23)11-2-1-3-21(11)15(25)10(4-8-6-17-7-18-8)20-14(24)9-5-12(22)19-9/h6-7,9-11H,1-5H2,(H2,16,23)(H,17,18)(H,19,22)(H,20,24)/t9-,10-,11-/m0/s1
InChIKeyWBGUMUGCONUXFK-DCAQKATOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Azetirelin (CHEBI:230038) is a histidine derivative (CHEBI:24599)
IUPAC Name 
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
59253ChemSpider