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CHEBI:64492 - ferricrocin

ChEBI IDCHEBI:64492
ChEBI Nameferricrocin
Stars
DefinitionA member of the class of ferrichromes that is an iron(III) chelate of the homodetic cyclic hexapeptide cyclo(glycyl-L-serylglycyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl).
Last Modified3 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC28H44FeN9O13
Net Charge0
Average Mass770.555
Monoisotopic Mass770.24079
SMILESCC1=[O+][Fe-3]2345[O]N1CCC[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCN([O]2)C(C)=[O+]3)NC(=O)[C@H](CCCN([O]4)C(C)=[O+]5)NC1=O
InChIInChI=1S/C28H44N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20-,21-,22-;/m0./s1
InChIKeyFNBCUYMSQPYITB-JZVQUOAUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
ferricrocin (CHEBI:64492) has role metabolite (CHEBI:25212)
ferricrocin (CHEBI:64492) is a ferrichromes (CHEBI:61414)
IUPAC Name 
(cyclo{glycyl-L-serylglycyl-N5-(hydroxy-κO)-N5-[1-(oxo-κO)ethyl]-L-ornithyl-N5-(hydroxy-κO)-N5-[1-(oxo-κO)ethyl]-L-ornithyl-N5-hydroxy-κO-N5-[1-(oxo-κO)ethyl]-L-ornithyl})iron
Synonym  Source
(cyclic(glycyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithylgylcyl-L-seryl)ato(3−))ironChemIDplus
Manual XrefsDatabases
DB03574DrugBank
Registry NumbersSources
Reaxys:14537062Reaxys
CAS:23086-46-6ChemIDplus
Citations