Structure database (LMSD)

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LM IDLMSP02040020
Common Nameω-linoleoyloxy-Cer(d18:1/32:0)
Systematic NameN-(32-(9Z,12Z-octadecadienoyloxy)-dotriacontanoyl)-sphing-4E-enine
SynonymsCer[EOS]; N-(32-linoleoyloxy-dotriacontanoyl)-sphing-4E-enine;
Cer(d18:1/32:0;18:2(9Z,12Z))
Exact Mass
1039.9871 (neutral)    Calculate m/z:
FormulaC68H129NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID122382708
InChIKeyNKZDGPMKCOVGRH-ARKMRHPDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C68H129NO5/c1-3-5-7-9-11-13-15-17-33-38-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-39-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-37-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-40-36-16-14-12-10-8-6-4-2/h11,13,17,33,56,60,65-66,70-71H,3-10,12,14-16,18-32,34-55,57-59,61-64H2,1-2H3,(H,69,72)/b13-11-,33-17-,60-56+/t65-,66+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
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StatusActive
ReferencesTo be published
Calculated physicochemical properties (?):
 Heavy Atoms74Rings0Aromatic Rings0Rotatable Bonds63
 van der Waals
Molecular Volume
1226.71Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP22.28Molar
Refractivity
326.07