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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methyl 3-(13,13-dibromotrideca-1E,12-dienyl)-2H-azirine-2S-carboxylate
ChEBI ID CHEBI:183130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H25Br2NO2
Net Charge 0
Average Mass 435.200
Monoisotopic Mass 433.02521
InChI InChI=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
InChIKey KUIICVNFNJTIGS-TYZQSYOASA-N
SMILES BrC(Br)=CCCCCCCCCC/C=C/C1=N[C@@H]1C(OC)=O
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4948237 ChemSpider
LMSP01080044 LIPID MAPS
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Registry Number Type Source
170554-75-3 CAS Registry Number ChemIDplus