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Substance Name: Ferrocin A
RN: 114550-08-2
InChIKey: NFEHNCXMXVNUPC-IERUDJENSA-N

Note

  • From Pseudomonas fluorescens.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H82-Fe-N13-O19

Molecular Weight

  • 1237.1258
 
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Names and Synonyms

Name of Substance

  • Ferrocin A

Synonyms

  • Ferrocin A
  • TAN 866A

Systematic Names

  • Iron, (N-(N(sup 5)-acetyl-N(sup 2)-(N-(N-(N(sup 5)-acetyl-N(sup 2)-(N-(N-(N-(N(sup 5)-acetyl-N(sup 5)-hydroxy-N(sup 2)-(N-(1-oxo-3-decenyl)-L-seryl)-L-ornithyl)glycyl)-L-valyl)-L-seryl)-N(sup 5)-hydroxy-L-ornithyl)-L-alanyl)glycyl)-N(sup 5)-hydroxy-L-ornithyl)glycyl)-N(sup 5)-hydroxy-L-ornithyl)glycine epsilon(sup 1)-lactonato(3-))-
  • Iron, (N-(N5-acetyl-N2-(N-(N-(N5-acetyl-N2-(N-(N-(N-(N5-acetyl-N5-hydroxy-N2-(N-(1-oxo-3-decenyl)-L-seryl)-L-ornithyl)glycyl)-L-valyl)-L-seryl)-N5-hydroxy-L-ornithyl)-L-alanyl)glycyl)-N5-hydroxy-L-ornithyl)glycine epsilon1-lactonato(3-))-

Registry Numbers

CAS Registry Number

  • 114550-08-2

System Generated Number

  • 0114550082

Structure Descriptors

InChI

1S/C51H82N13O19.Fe/c1-8-9-10-11-12-13-14-21-40(69)57-39-29-83-43(72)27-54-46(74)35(18-15-22-62(80)32(5)66)56-41(70)25-52-45(73)31(4)55-48(76)37(20-17-24-64(82)34(7)68)59-49(77)38(28-65)60-51(79)44(30(2)3)61-42(71)26-53-47(75)36(58-50(39)78)19-16-23-63(81)33(6)67;/h13-14,30-31,35-39,44,65H,8-12,15-29H2,1-7H3,(H,52,73)(H,53,75)(H,54,74)(H,55,76)(H,56,70)(H,57,69)(H,58,78)(H,59,77)(H,60,79)(H,61,71);/q-3;+3/b14-13+;

InChIKey

NFEHNCXMXVNUPC-IERUDJENSA-N

Smiles

CCCCCC/C=C/CC(=O)NC1COC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN(C(=O)C)[O-])C(C)C)CO)CCCN(C(=O)C)[O-])C)CCCN(C(=O)C)[O-].[Fe+3]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 65, 1993.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 65, 1993.