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CHEBI:206518 - Bacithrocin A

ChEBI IDCHEBI:206518
ChEBI NameBacithrocin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N5O3
Net Charge0
Average Mass389.500
Monoisotopic Mass389.24269
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C20H31N5O3/c1-14(2)11-18(27)25-17(12-15-7-4-3-5-8-15)19(28)24-16(13-26)9-6-10-23-20(21)22/h3-5,7-8,13-14,16-17H,6,9-12H2,1-2H3,(H,24,28)(H,25,27)(H4,21,22,23)/t16?,17-/m0/s1
InChIKeyJDLOASBKUAQMFJ-DJNXLDHESA-N
Species of MetaboliteComponentSourceComments
Brevibacillus laterosporus (ncbitaxon:1465) - PubMed (7928697)
ChEBI Ontology
Outgoing Relation(s)
Bacithrocin A (CHEBI:206518) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
N-[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
Manual XrefsDatabases
8605858ChemSpider