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CHEBI:198222 - Vicibactin

ChEBI IDCHEBI:198222
ChEBI NameVicibactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54N6O15
Net Charge0
Average Mass774.822
Monoisotopic Mass774.36472
SMILESCC(=O)N[C@@H]1CCCN(O)C(=O)C[C@@H](C)OC(=O)[C@H](NC(C)=O)CCCN(O)C(=O)C[C@@H](C)OC(=O)[C@H](NC(C)=O)CCCN(O)C(=O)C[C@@H](C)OC1=O
InChIInChI=1S/C33H54N6O15/c1-19-16-28(43)37(49)13-8-11-26(35-23(5)41)32(47)53-21(3)18-30(45)39(51)15-9-12-27(36-24(6)42)33(48)54-20(2)17-29(44)38(50)14-7-10-25(31(46)52-19)34-22(4)40/h19-21,25-27,49-51H,7-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,42)/t19-,20-,21-,25-,26-,27-/m1/s1
InChIKeyNEZSNYPOAQRZDV-ZXXBMJRBSA-N
Species of MetaboliteComponentSourceComments
Rhizobium leguminosarum bv. viciae (ncbitaxon:387) - DOI (10.1099/00221287-144-3-781)
ChEBI Ontology
Outgoing Relation(s)
Vicibactin (CHEBI:198222) is a azamacrocycle (CHEBI:52898)
Vicibactin (CHEBI:198222) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
N-[(2R,9R,12R,19R,22R,29R)-19,29-diacetamido-5,15,25-trihydroxy-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacont-9-yl]acetamide
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59650540ChemSpider