Structure Database (LMSD)

Common Name
alpha-N-(3-(3-hydroxy)-octadecanoyloxy-octadecanoyl)-L-ornithine
Systematic Name
(2S)-5-amino-2-(3-(3-hydroxy)-octadecanoyloxy-octadecanamido)pentanoic acid
Synonyms
LM ID
LMFA08020227
Formula
C41H80N2O6
Exact Mass
Calculate m/z
696.601638
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]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Acidithiobacillus thiooxidans (#930)
Acidithiobacillia (#1807140)
Amino acid-containing membrane lipids in bacteria.,
Prog Lipid Res, 2010
Pubmed ID: 19703488

String Representations

InChiKey (Click to copy)
LMPSQQRBOPPPBK-QYZZXKJTSA-N
InChi (Click to copy)
InChI=1S/C41H80N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-36(44)34-40(46)49-37(35-39(45)43-38(41(47)48)32-29-33-42)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,44H,3-35,42H2,1-2H3,(H,43,45)(H,47,48)/t36?,37?,38-/m1/s1
SMILES (Click to copy)
OC([C@H](NC(CC(OC(CC(O)CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC)=O)CCCN)=O

Other Databases

PubChem CID
138454223

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 784.68
Topological Polar Surface Area 138.95
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 11.45
Molar Refractivity 205.63

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Created at
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Updated at
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