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CHEBI:227453 - Neobacillamide A

ChEBI IDCHEBI:227453
ChEBI NameNeobacillamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O2S
Net Charge0
Average Mass317.414
Monoisotopic Mass317.11980
SMILESCC(=O)N[C@H](C)c1nc(C(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-11(18-12(2)20)16-19-14(10-22-16)15(21)17-9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,17,21)(H,18,20)/t11-/m1/s1
InChIKeyMEBSKLSELLTMAT-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.1002/hlca.200800349)
ChEBI Ontology
Outgoing Relation(s)
Neobacillamide A (CHEBI:227453) is a aromatic amide (CHEBI:62733)
Neobacillamide A (CHEBI:227453) is a thiazoles (CHEBI:48901)
IUPAC Name 
2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
Manual XrefsDatabases
27024119ChemSpider