Structure Database (LMSD)

Common Name
desferrioxamine G
Systematic Name
32-amino-5,16,27-trihydroxy-4,12,15,23,26-pentaoxo-5,11,16,22,27-pentaazadotriacontan-1-oic acid
Synonyms
LM ID
LMFA08020171
Formula
C27H50N6O10
Exact Mass
Calculate m/z
618.358844
Status
Curated
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)
MIVGUYBAQIHKPJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H50N6O10/c28-16-4-1-7-19-31(41)24(36)12-10-22(34)29-17-5-2-8-20-32(42)25(37)13-11-23(35)30-18-6-3-9-21-33(43)26(38)14-15-27(39)40/h41-43H,1-21,28H2,(H,29,34)(H,30,35)(H,39,40)
SMILES (Click to copy)
C(C(=O)N(O)CCCCCNC(CCC(=O)N(O)CCCCCN)=O)CC(=O)NCCCCCN(C(CCC(O)=O)=O)O

Other Databases

CHEBI ID
50439
PubChem CID
11444934

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 613.72
Topological Polar Surface Area 243.14
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 13
logP 2.99
Molar Refractivity 154.99

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Created at
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Updated at
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