Structure Database (LMSD)

Common Name
Deferoxamine
Systematic Name
N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide
Synonyms
LM ID
LMFA08020169
Formula
C25H48N6O8
Exact Mass
Calculate m/z
560.353364
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
UBQYURCVBFRUQT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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)
SMILES (Click to copy)
C(C(=O)N(O)CCCCCNC(CCC(=O)N(O)CCCCCN)=O)CC(=O)NCCCCCN(C(C)=O)O

Other Databases

KEGG ID
C06940
HMDB ID
HMDB0014884
CHEBI ID
4356
PubChem CID
2973
PDB ID
KTY

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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