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CHEBI:219869 - Serobactin B

ChEBI IDCHEBI:219869
ChEBI NameSerobactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H59N7O17
Net Charge0
Average Mass849.889
Monoisotopic Mass849.39674
SMILESCCCCCCCCCCCC(=O)NC(C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(O)C1=O)[C@H](C)O)C(O)C(=O)O)C(O)C(=O)O
InChIInChI=1S/C35H59N7O17/c1-3-4-5-6-7-8-9-10-11-14-22(46)39-24(26(47)34(55)56)31(52)38-21(17-44)29(50)41-25(27(48)35(57)58)32(53)40-23(18(2)45)30(51)37-20(16-43)28(49)36-19-13-12-15-42(59)33(19)54/h18-21,23-27,43-45,47-48,59H,3-17H2,1-2H3,(H,36,49)(H,37,51)(H,38,52)(H,39,46)(H,40,53)(H,41,50)(H,55,56)(H,57,58)/t18-,19-,20-,21-,23+,24?,25?,26?,27?/m0/s1
InChIKeyLQPRYCPJOYXBHP-ZPDUTISPSA-N
Species of MetaboliteComponentSourceComments
Herbaspirillum (ncbitaxon:963) - PubMed (23320867)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Serobactin B (CHEBI:219869) is a peptide (CHEBI:16670)
IUPAC Name 
4-[[(2S)-1-[[1-carboxy-1-hydroxy-3-[[(2R,3S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78445709ChemSpider