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CHEBI:203054 - Serratiochelin C

ChEBI IDCHEBI:203054
ChEBI NameSerratiochelin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O8
Net Charge0
Average Mass447.444
Monoisotopic Mass447.16416
SMILESC[C@@H](OC(=O)c1cccc(O)c1O)[C@H](N)C(=O)NCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C21H25N3O8/c1-11(32-21(31)13-6-3-8-15(26)18(13)28)16(22)20(30)24-10-4-9-23-19(29)12-5-2-7-14(25)17(12)27/h2-3,5-8,11,16,25-28H,4,9-10,22H2,1H3,(H,23,29)(H,24,30)/t11-,16+/m1/s1
InChIKeyXMOBHOCBJPHBKD-BZNIZROVSA-N
Species of MetaboliteComponentSourceComments
Serratiaspecies (in: enterobacteria) (ncbitaxon:616) - PubMed (22830960)
ChEBI Ontology
Outgoing Relation(s)
Serratiochelin C (CHEBI:203054) is a amino acid amide (CHEBI:22475)
IUPAC Name 
[(2R,3S)-3-amino-4-[3-[(2,3-dihydroxybenzoyl)amino]propylamino]-4-oxobutan-2-yl] 2,3-dihydroxybenzoate
Manual XrefsDatabases
35523318ChemSpider