CHEBI:221816 - Bacithrocin B

ChEBI IDCHEBI:221816
ChEBI NameBacithrocin B
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SubmitterMetaboLights
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FormulaC19H29N5O3
Net Charge0
Average Mass375.473
Monoisotopic Mass375.22704
SMILESCC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C19H29N5O3/c1-13(2)17(26)24-16(11-14-7-4-3-5-8-14)18(27)23-15(12-25)9-6-10-22-19(20)21/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,23,27)(H,24,26)(H4,20,21,22)/t15?,16-/m0/s1
InChIKeyJRHGBVMMQSXTNA-LYKKTTPLSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus laterosporus (ncbitaxon:1465) - PubMed (7928697)
ChEBI Ontology
Outgoing Relation(s)
Bacithrocin B (CHEBI:221816) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
N-[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
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8266418ChemSpider