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CHEBI:204894 - Bacithrocin C

ChEBI IDCHEBI:204894
ChEBI NameBacithrocin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N5O3
Net Charge0
Average Mass361.446
Monoisotopic Mass361.21139
SMILESCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C18H27N5O3/c1-2-16(25)23-15(11-13-7-4-3-5-8-13)17(26)22-14(12-24)9-6-10-21-18(19)20/h3-5,7-8,12,14-15H,2,6,9-11H2,1H3,(H,22,26)(H,23,25)(H4,19,20,21)/t14?,15-/m0/s1
InChIKeyVJCITDLJAWDIFK-LOACHALJSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus laterosporus (ncbitaxon:1465) - PubMed (7928697)
ChEBI Ontology
Outgoing Relation(s)
Bacithrocin C (CHEBI:204894) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-phenyl-2-(propanoylamino)propanamide
Manual XrefsDatabases
8559416ChemSpider