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CHEBI:219807 - Fusarinine C

ChEBI IDCHEBI:219807
ChEBI NameFusarinine C
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SubmitterMetaboLights
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FormulaC33H51N6O12.Fe
Net Charge0
Average Mass779.646
Monoisotopic Mass779.29143
SMILESC/C1=C/C(=O)N([O-])CCCC(N)C(=O)OCC/C(C)=C\C(=O)N([O-])CCCC(N)C(=O)OCC/C(C)=C\C(=O)N([O-])CCCC(N)C(=O)OCC1.[Fe+3]
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/b22-19-,23-21-,24-20-;
InChIKeyKUQNHSOWVDQAOF-BBXZRSJSSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (949471)
ChEBI Ontology
Outgoing Relation(s)
Fusarinine C (CHEBI:219807) is a azamacrocycle (CHEBI:52898)
Fusarinine C (CHEBI:219807) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
iron(3+);(9Z,21Z,33Z)-3,15,27-triamino-10,22,34-trimethyl-7,19,31-trioxido-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-2,8,14,20,26,32-hexone
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4945584ChemSpider