Structure Database (LMSD)

O N H OH N O + N _ O H HN N NH 2 OH O O
Common Name
IC202A
Systematic Name
N-(5-aminopentyl)-N'-(5-{[4-({5-[butylidene(oxido)-lambda(5)-azanyl]pentyl}amino)-4-oxobutanoyl](hydroxy)amino}pentyl)-N-hydroxybutanediamide
Synonyms
LM ID
LMFA08020182
Formula
C27H52N6O7
Exact Mass
Calculate m/z
572.389749
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
BVRULQCEMCYBAM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H52N6O7/c1-2-3-9-20-31(38)21-12-8-19-30-25(35)14-16-27(37)33(40)23-11-5-7-18-29-24(34)13-15-26(36)32(39)22-10-4-6-17-28/h20,39-40H,2-19,21-23,28H2,1H3,(H,29,34)(H,30,35)
SMILES (Click to copy)
C(N)CCCCN(O)C(CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCC[N+]([O-])=C([H])CCCC)O)=O

References

Other Databases

CHEBI ID
66065
PubChem CID
70678744

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 589.99
Topological Polar Surface Area 191.37
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 4.12
Molar Refractivity 154.23

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Created at
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Updated at
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