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Substance Name: Hydroxyisoneocoprogen I
RN: 135500-11-7
InChIKey: DMTDNUFPIYUNJY-CJEDLIRDSA-N

Note

  • Siderophore; from phytopathogenic Alternaria longipes.

Molecular Formula

  • C31-H47-Fe-N6-O13

Molecular Weight

  • 767.5863
 
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Names and Synonyms

Name of Substance

  • Hydroxyisoneocoprogen I

Systematic Name

  • Iron, (5-((3-(5-(3-((4,5-dihydroxy-3-methyl-1-oxo-2-pentenyl)hydroxyamino)propyl)-3,6-dioxo-2-piperazinyl)propyl)hydroxyamino)-3-methyl-5-oxo-3-pentenyl N2,N5-diacetyl-N5-hydroxy-L-ornithinato(3-))-

Registry Numbers

CAS Registry Number

  • 135500-11-7

System Generated Number

  • 0135500117

Structure Descriptors

InChI

1S/C31H47N6O13.Fe/c1-19(11-15-50-31(46)25(32-21(3)39)10-7-12-35(47)22(4)40)16-27(42)36(48)13-5-8-23-29(44)34-24(30(45)33-23)9-6-14-37(49)28(43)17-20(2)26(41)18-38;/h16-17,23-26,38,41H,5-15,18H2,1-4H3,(H,32,39)(H,33,45)(H,34,44);/q-3;+3/b19-16-,20-17-;

InChIKey

DMTDNUFPIYUNJY-CJEDLIRDSA-N

Smiles

C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)/C=C(/C)\C(CO)O)[O-])[O-])/CCOC(=O)C(CCCN(C(=O)C)[O-])NC(=O)C.[Fe+3]