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CHEBI:183130 - methyl 3-(13,13-dibromotrideca-1E,12-dienyl)-2H-azirine-2S-carboxylate

ChEBI IDCHEBI:183130
ChEBI Namemethyl 3-(13,13-dibromotrideca-1E,12-dienyl)-2H-azirine-2S-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25Br2NO2
Net Charge0
Average Mass435.200
Monoisotopic Mass433.02520
SMILESCOC(=O)[C@H]1N=C1/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C17H25Br2NO2/c1-22-17(21)16-14(20-16)12-10-8-6-4-2-3-5-7-9-11-13-15(18)19/h10,12-13,16H,2-9,11H2,1H3/b12-10+/t16-/m0/s1
InChIKeyKUIICVNFNJTIGS-TYZQSYOASA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
methyl 3-(13,13-dibromotrideca-1E,12-dienyl)-2H-azirine-2S-carboxylate (CHEBI:183130) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (2S)-3-[(1E)-13,13-dibromotrideca-1,12-dienyl]-2H-azirine-2-carboxylate
Manual XrefsDatabases
4948237ChemSpider
LMSP01080044LIPID MAPS
Registry NumbersSources
CAS:170554-75-3ChemIDplus