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CHEBI:222619 - Pantocin B

ChEBI IDCHEBI:222619
ChEBI NamePantocin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H17N3O6S
Net Charge0
Average Mass295.317
Monoisotopic Mass295.08381
SMILESC[C@H](N)C(=O)NCNC(=O)C[C@H](C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H17N3O6S/c1-5(10)8(14)12-4-11-7(13)3-6(9(15)16)19(2,17)18/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t5-,6+/m0/s1
InChIKeyQPOFRFGIYSXYSK-NTSWFWBYSA-N
Species of MetaboliteComponentSourceComments
Pantoea agglomerans (ncbitaxon:549) - DOI (10.1021/ja992790m)
ChEBI Ontology
Outgoing Relation(s)
Pantocin B (CHEBI:222619) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(2R)-4-[[[(2S)-2-aminopropanoyl]amino]methylamino]-2-methylsulonyl-4-oxobutanoic acid
Manual XrefsDatabases
8812976ChemSpider