Structure Database (LMSD)

Common Name
Ferroxamine
Systematic Name
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxo-butanoyl]-hydroxy-amino]pentyl]-N'-(5-aminopentyl)-N'-hydroxy-butanediamide;iron
Synonyms
  • Desferal-iron(III)
  • C07597
  • Fe Sat DFO
  • AC1LAQQR
LM ID
LMFA08020175
Status
Active
Exact Mass
Calculate m/z
616.288303
Formula
C25H48FeN6O8
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
RLQJSUCFBHXPHA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H48N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);
SMILES (Click to copy)
[Fe].ON(C(CCC(NCCCCCN(C(C)=O)O)=O)=O)CCCCCNC(CCC(N(CCCCCN)O)=O)=O

References

Other Databases

KEGG ID
C07597
PubChem CID
473260

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 564.18
Topological Polar Surface Area 205.84
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 3.14
Molar Refractivity 143.80

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Created at
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Updated at
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