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CHEBI:227027 - Vicibactin-7101

ChEBI IDCHEBI:227027
ChEBI NameVicibactin-7101
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48N6O12
Net Charge0
Average Mass648.711
Monoisotopic Mass648.33302
SMILESC[C@@H]1CC(=O)N(O)CCC[C@@H](N)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N)C(=O)O1
InChIInChI=1S/C27H48N6O12/c1-16-13-22(34)31(40)10-5-8-20(29)26(38)44-18(3)15-24(36)33(42)12-6-9-21(30)27(39)45-17(2)14-23(35)32(41)11-4-7-19(28)25(37)43-16/h16-21,40-42H,4-15,28-30H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1
InChIKeyQKQHATWRIIIRSS-UCGFNCKJSA-N
Species of MetaboliteComponentSourceComments
Rhizobium leguminosarum (ncbitaxon:384) - DOI (10.1099/00221287-144-3-781)
ChEBI Ontology
Outgoing Relation(s)
Vicibactin-7101 (CHEBI:227027) is a azamacrocycle (CHEBI:52898)
Vicibactin-7101 (CHEBI:227027) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2R,9R,12R,19R,22R,29R)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone
Manual XrefsDatabases
78439973ChemSpider