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CHEBI:222148 - Serratiochelin B

ChEBI IDCHEBI:222148
ChEBI NameSerratiochelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O8
Net Charge0
Average Mass447.444
Monoisotopic Mass447.16416
SMILESC[C@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)NCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C21H25N3O8/c1-11(25)16(24-20(31)13-6-3-8-15(27)18(13)29)21(32)23-10-4-9-22-19(30)12-5-2-7-14(26)17(12)28/h2-3,5-8,11,16,25-29H,4,9-10H2,1H3,(H,22,30)(H,23,32)(H,24,31)/t11-,16-/m0/s1
InChIKeyQMKONGLSNOCOEE-ZBEGNZNMSA-N
Species of MetaboliteComponentSourceComments
Serratiaspecies (in: enterobacteria) (ncbitaxon:616) - PubMed (22830960)
ChEBI Ontology
Outgoing Relation(s)
Serratiochelin B (CHEBI:222148) is a catechols (CHEBI:33566)
IUPAC Name 
N-[3-[[(2S,3S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxybutanoyl]amino]propyl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
78438234ChemSpider