Structure database (LMSD)

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LM IDLMSP02040049
Common Nameω-linoleoyloxy-Cer(d19:1/34:0)
Systematic NameN-(34-(9Z,12Z-octadecadienoyloxy)-tetratriacontanoyl)-nonadecasphing-4E-enine
SynonymsCer[EOS]; N-(34-linoleoyloxy-tetratriacontanoyl)-nonadecasphing-4E-enine;
Cer(d19:1/34:0;18:2(9Z,12Z))
Exact Mass
1082.0340 (neutral)    Calculate m/z:
FormulaC71H135NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyHAPABFAZNOTIPG-REMQULSXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C71H135NO5/c1-3-5-7-9-11-13-15-17-36-41-45-49-53-57-61-65-71(76)77-66-62-58-54-50-46-42-38-35-33-31-29-27-25-23-21-19-20-22-24-26-28-30-32-34-37-40-44-48-52-56-60-64-70(75)72-68(67-73)69(74)63-59-55-51-47-43-39-18-16-14-12-10-8-6-4-2/h11,13,17,36,59,63,68-69,73-74H,3-10,12,14-16,18-35,37-58,60-62,64-67H2,1-2H3,(H,72,75)/b13-11-,36-17-,63-59+/t68-,69+/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/CCCCCCCCCCCCCC
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StatusActive
ReferencesFrom J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms77Rings0Aromatic Rings0Rotatable Bonds66
 van der Waals
Molecular Volume
1278.61Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP23.45Molar
Refractivity
339.92