Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08020169
Common NameDeferoxamine
Systematic NameN-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)
pentyl]carbamoyl}propanamido)pentyl]butanediamide
Synonyms-
Exact Mass
560.3534 (neutral)    Calculate m/z:
FormulaC25H48N6O8
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
PubChem CID2973
KEGG IDC06940
HMDB IDHMDB0014884
CHEBI ID4356
InChIKeyUBQYURCVBFRUQT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H48N6O8/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)
SMILESC(C(=O)N(O)CCCCCNC(CCC(=O)N(O)CCCCCN)=O)CC(=O)NCCCCCN(C(C)=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
564.18Topological Polar
Surface Area
205.84Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
11
 logP3.14Molar
Refractivity
143.80