Structure database (LMSD)

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LM IDLMSP02040026
Common Nameω-linoleoyloxy-Cer(d18:1/33:0)
Systematic NameN-(33-(9Z,12Z-octadecadienoyloxy)-tritriacontanoyl)-sphing-4E-enine
SynonymsCer[EOS]; N-(33-linoleoyloxy-tritriacontanoyl)-sphing-4E-enine;
Cer(d18:1/33:0;18:2(9Z,12Z))
Exact Mass
1054.0027 (neutral)    Calculate m/z:
FormulaC69H131NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyRBXVYKWBUXREPY-YHAQYXMISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C69H131NO5/c1-3-5-7-9-11-13-15-17-34-39-43-47-51-55-59-63-69(74)75-64-60-56-52-48-44-40-36-33-31-29-27-25-23-21-19-18-20-22-24-26-28-30-32-35-38-42-46-50-54-58-62-68(73)70-66(65-71)67(72)61-57-53-49-45-41-37-16-14-12-10-8-6-4-2/h11,13,17,34,57,61,66-67,71-72H,3-10,12,14-16,18-33,35-56,58-60,62-65H2,1-2H3,(H,70,73)/b13-11-,34-17-,61-57+/t66-,67+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
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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