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CHEBI:84718 - iron(III)-coelichelin

ChEBI IDCHEBI:84718
ChEBI Nameiron(III)-coelichelin
Stars
Last Modified6 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H36FeN7O11
Net Charge0
Average Mass618.402
Monoisotopic Mass618.18222
SMILESC[C@@H](O)[C@H]1NC(=O)[C@H](N)CCCN(C=O)[O][Fe]2[O]N(C=O)CCC[C@@H](N)C(=O)N[C@H](C(=O)O)CCCN([O]2)C1=O
InChIInChI=1S/C21H36N7O11.Fe/c1-13(31)17(25-19(33)15(23)6-3-9-27(38)12-30)20(34)28(39)10-4-7-16(21(35)36)24-18(32)14(22)5-2-8-26(37)11-29;/h11-17,31H,2-10,22-23H2,1H3,(H,24,32)(H,25,33)(H,35,36);/q-3;+3/t13-,14-,15-,16+,17-;/m1./s1
InChIKeyXAMAMPIPYGHSKJ-OWMSRHECSA-N
ChEBI Ontology
Outgoing Relation(s)
iron(III)-coelichelin (CHEBI:84718) has part coelichelin(3−) (CHEBI:84724)
iron(III)-coelichelin (CHEBI:84718) is a Fe(III)-complexed hydroxamate siderophore (CHEBI:84688)
IUPAC Name 
{N2-[N5-formyl-N5-(hydroxy-κO)-D-ornithyl]-N5-[N5-formyl-N5-(hydroxy-κO)-D-ornithyl-D-allothreonyl]-N5-hydroxy-κO-L-ornithinato(3−)}iron