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CHEBI:232293 - fusarinine C (+3)

ChEBI IDCHEBI:232293
ChEBI Namefusarinine C (+3)
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC33H54FeN6O12
Net Charge+3
Average Mass782.670
Monoisotopic Mass782.31326
SMILESC/C1=C/C2=[O+][Fe-3]3456[O]N(CCC[C@H]([NH3+])C(=O)OCC1)C(=[O+]3)/C=C(/C)CCOC(=O)[C@@H]([NH3+])CCCN([O]4)C(=[O+]5)/C=C(/C)CCOC(=O)[C@@H]([NH3+])CCCN2[O]6
InChIInChI=1S/C33H51N6O12.Fe/c1-22-10-16-49-31(43)25(34)8-5-14-38(47)29(41)20-24(3)12-18-51-33(45)27(36)9-6-15-39(48)30(42)21-23(2)11-17-50-32(44)26(35)7-4-13-37(46)28(40)19-22;/h19-21,25-27H,4-18,34-36H2,1-3H3;/q-3;+3/p+3/b22-19-,23-21-,24-20-;/t25-,26-,27-;/m0./s1
InChIKeyKUQNHSOWVDQAOF-UZMCZCSNSA-Q
ChEBI Ontology
Outgoing Relation(s)
fusarinine C (+3) (CHEBI:232293) is a ammonium ion derivative (CHEBI:35274)
fusarinine C (+3) (CHEBI:232293) is a azamacrocycle (CHEBI:52898)
UniProt Name  Source
fusarinine CUniProt
Manual XrefsDatabases
CPD-19128MetaCyc
Citations