Structure Database (LMSD)

Common Name
alpha-N-(3-octadecanoyloxy-octadecanoyl)-L-ornithine
Systematic Name
(2S)-5-amino-2-(3-octadecanoyloxy-octadecanamido)pentanoic acid
Synonyms
LM ID
LMFA08020226
Formula
C41H80N2O5
Exact Mass
Calculate m/z
680.606723
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]

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)
WPAJRUJTAKLMRH-YWIOZPJLSA-N
InChi (Click to copy)
InChI=1S/C41H80N2O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-40(45)48-37(36-39(44)43-38(41(46)47)33-31-35-42)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38H,3-36,42H2,1-2H3,(H,43,44)(H,46,47)/t37?,38-/m1/s1
SMILES (Click to copy)
OC([C@H](NC(CC(OC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC)=O)CCCN)=O

Other Databases

PubChem CID
138454222

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 775.89
Topological Polar Surface Area 118.72
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 12.20
Molar Refractivity 203.72

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Updated at
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