Structure database (LMSD)

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LM IDLMSP02040032
Common Nameω-linoleoyloxy-Cer(d17:1/34:0)
Systematic NameN-(34-(9Z,12Z-octadecadienoyloxy)-tetratriacontanoyl)-heptadecasphing-4E-enine
SynonymsCer[EOS]; N-(34-linoleoyloxy-tetratriacontanoyl)-heptadecasphing-4E-enine;
Cer(d17:1/34:0;18:2(9Z,12Z))
Exact Mass
1054.0027 (neutral)    Calculate m/z:
FormulaC69H131NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyXEPWQXPFYRJZNW-HNDRRHTPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C69H131NO5/c1-3-5-7-9-11-13-15-17-35-39-43-47-51-55-59-63-69(74)75-64-60-56-52-48-44-40-37-34-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-36-38-42-46-50-54-58-62-68(73)70-66(65-71)67(72)61-57-53-49-45-41-16-14-12-10-8-6-4-2/h11,13,17,35,57,61,66-67,71-72H,3-10,12,14-16,18-34,36-56,58-60,62-65H2,1-2H3,(H,70,73)/b13-11-,35-17-,61-57+/t66-,67+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCC
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StatusActive
ReferencesFrom J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms75Rings0Aromatic Rings0Rotatable Bonds64
 van der Waals
Molecular Volume
1244.01Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP22.67Molar
Refractivity
330.69