Structure Database (LMSD)

Common Name
desferrioxamine D1
Systematic Name
N-[5-(acetylamino)pentyl]-N'-(5-{[4-({5-[acetyl(hydroxy)amino]pentyl}amino)-4-oxobutanoyl](hydroxy)amino}pentyl)-N-hydroxybutanediamide
Synonyms
LM ID
LMFA08020170
Formula
C27H50N6O9
Exact Mass
Calculate m/z
602.363928
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

String Representations

InChiKey (Click to copy)
IEYBTYRDMTXDKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H50N6O9/c1-22(34)28-16-6-3-10-20-32(41)26(38)14-13-25(37)30-18-8-5-11-21-33(42)27(39)15-12-24(36)29-17-7-4-9-19-31(40)23(2)35/h40-42H,3-21H2,1-2H3,(H,28,34)(H,29,36)(H,30,37)
SMILES (Click to copy)
C(C(=O)N(O)CCCCCNC(CCC(=O)N(O)CCCCCNC(=O)C)=O)CC(=O)NCCCCCN(C(C)=O)O

Other Databases

CHEBI ID
50456
PubChem CID
10008761

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 604.93
Topological Polar Surface Area 208.92
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 3.32
Molar Refractivity 153.42

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Created at
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Updated at
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