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Substance Name: Coprogen
RN: 31418-71-0
UNII: 9262JXU362
InChIKey: FQIVLXIUJLOKPL-DWZMLRRXSA-N

Note

  • Siderochrome found in Penicillium & Neurospora.

Molecular Formula

  • C35-H53-Fe-N6-O13

Molecular Weight

  • 821.6777
 
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Names and Synonyms

Name of Substance

  • Coprogen

Synonym

  • UNII-9262JXU362

Systematic Name

  • Iron, (5-(hydroxy(3-(5-(3-(hydroxy(5-hydroxy-3-methyl-1-oxo-2-pentenyl)amino)propyl)-3,6-dioxo-2-piperazinyl)propyl)amino)-3-methyl-5-oxo-3-pentenyl N2-acetyl-N5-hydroxy-N5-(5-hydroxy-3-methyl-1-oxo-2-pentenyl)-L-ornithinato(3-))-

Registry Numbers

CAS Registry Number

  • 31418-71-0

FDA UNII

  • 9262JXU362

System Generated Number

  • 0031418710

Structure Descriptors

InChI

1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+;/t27-,28-,29-;/m0./s1

InChIKey

FQIVLXIUJLOKPL-DWZMLRRXSA-N

Smiles

[Fe+3].CC(=O)N[C@@H](CCCN([O-])C(=O)\C=C(/C)\CCO)C(=O)OCC\C(=C\C(=O)N([O-])CCC[C@@H]1NC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)\CCO)NC1=O)\C