Structure Database (LMSD)

H O O HO O NH 2 N H O
Common Name
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Systematic Name
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Synonyms
LM ID
LMFA00000003
Formula
C38H74N2O5
Exact Mass
Calculate m/z
638.559773
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
GSCCUVDKVJUMTG-HTIIIDOHSA-N
InChi (Click to copy)
InChI=1S/C38H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37(42)45-34(33-36(41)40-35(38(43)44)30-28-32-39)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,40,41)(H,43,44)/t34?,35-/m0/s1
SMILES (Click to copy)
C(CCN)[C@](C(=O)O)([H])NC(CC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC)=O

References

Other Databases

PubChem CID
42607282

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 723.99
Topological Polar Surface Area 118.72
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 11.03
Molar Refractivity 189.87

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Created at
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Updated at
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