Structure database (LMSD)

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LM IDLMSP02040002
Common Name1-O-myristoyl-Cer(d18:1/16:0)
Systematic Name1-O-tetradecanoyl-N-(hexadecanoyl)-sphing-4-enine
SynonymsCer[1-O-ENS]; Cer(14:0;d18:1/16:0)
Exact Mass
747.7105 (neutral)    Calculate m/z:
FormulaC48H93NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID118701783
InChIKeyYLLXZQVMXMKGNQ-JGJGLNIGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C48H93NO4/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-46(50)45(44-53-48(52)43-40-37-34-31-26-21-18-15-12-9-6-3)49-47(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h38,41,45-46,50H,4-37,39-40,42-44H2,1-3H3,(H,49,51)/b41-38+/t45-,46+/m0/s1
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SMILES
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms53Rings0Aromatic Rings0Rotatable Bonds44
 van der Waals
Molecular Volume
877.20Topological Polar
Surface Area
75.63Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP15.67Molar
Refractivity
232.02