Structure Database (LMSD)
Common Name
Cer(d18:0/15:0)
Systematic Name
N-(pentadecanoyl)-sphinganine
Synonyms
- Cer[NdS]
LM ID
LMSP02020021
Formula
Exact Mass
Calculate m/z
525.512094
Sum Composition
Abbrev Chains
Cer 18:0;O2/15:0
Status
Active
3D model of Cer(d18:0/15:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IZHDCKVGRKOGIB-AJQTZOPKSA-N
InChi (Click to copy)
InChI=1S/C33H67NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t31-,32+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
614.19
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
10.25
Molar Refractivity
162.54
Reactions
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Created at
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Updated at
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