In-Silico Structure Database (LMISSD)

Common Name
Cer(d18:0/17:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheptadecanoyl)-sphinganine
LM ID
LMSP02020019
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
569.538309
Formula
C35H71NO4
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
SKUYODQAHZTUFS-LBFZIJHGSA-N
InChi (Click to copy)
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)/t32-,33+,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 657.58
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 10.29
Molar Refractivity 173.68