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CHEBI:186963 - Kalkitoxin

ChEBI IDCHEBI:186963
ChEBI NameKalkitoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38N2OS
Net Charge0
Average Mass366.615
Monoisotopic Mass366.27048
SMILESC=C[C@@H]1CSC(C[C@@H](C)[C@@H](C)C[C@H](C)CCN(C)C(=O)[C@H](C)CC)=N1
InChIInChI=1S/C21H38N2OS/c1-8-16(4)21(24)23(7)11-10-15(3)12-17(5)18(6)13-20-22-19(9-2)14-25-20/h9,15-19H,2,8,10-14H2,1,3-7H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyPHYRFZDJEDWWKT-UJWQCDCRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kalkitoxin (CHEBI:186963) is a fatty amide (CHEBI:29348)
IUPAC Name 
(2R)-N-[(3S,5S,6R)-7-[(4R)-4-ethenyl-4,5-dihydro-1,3-thiazol-2-yl]-3,5,6-trimethylheptyl]-N,2-dimethylbutanamide
Manual XrefsDatabases
9351143ChemSpider
Registry NumbersSources
CAS:247184-89-0ChemIDplus