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CHEBI:219876 - Serobactin C

ChEBI IDCHEBI:219876
ChEBI NameSerobactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H63N7O17
Net Charge0
Average Mass877.943
Monoisotopic Mass877.42804
SMILESCCCCCCCCCCCCCC(=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/C37H63N7O17/c1-3-4-5-6-7-8-9-10-11-12-13-16-24(48)41-26(28(49)36(57)58)33(54)40-23(19-46)31(52)43-27(29(50)37(59)60)34(55)42-25(20(2)47)32(53)39-22(18-45)30(51)38-21-15-14-17-44(61)35(21)56/h20-23,25-29,45-47,49-50,61H,3-19H2,1-2H3,(H,38,51)(H,39,53)(H,40,54)(H,41,48)(H,42,55)(H,43,52)(H,57,58)(H,59,60)/t20-,21-,22-,23-,25+,26?,27?,28?,29?/m0/s1
InChIKeyNXSGPZVLHWRFIW-UPJAXRPTSA-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 C (CHEBI:219876) 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]-2-hydroxy-4-oxo-3-(tetradecanoylamino)butanoic acid
Manual XrefsDatabases
78445710ChemSpider