Structure database (LMSD)

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LM IDLMSP02040027
Common Nameω-linoleoyloxy-Cer(d18:1/34:0)
Systematic NameN-(34-(9Z,12Z-octadecadienoyloxy)-tetratriacontanoyl)-sphing-4E-enine
SynonymsCer[EOS]; N-(34-linoleoyloxy-tetratriacontanoyl)-sphing-4E-enine;
Cer(d18:1/34:0;18:2(9Z,12Z))
Exact Mass
1068.0184 (neutral)    Calculate m/z:
FormulaC70H133NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyWTOPSPXQQJWZJF-JXLLLHLCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C70H133NO5/c1-3-5-7-9-11-13-15-17-35-40-44-48-52-56-60-64-70(75)76-65-61-57-53-49-45-41-37-34-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-36-39-43-47-51-55-59-63-69(74)71-67(66-72)68(73)62-58-54-50-46-42-38-16-14-12-10-8-6-4-2/h11,13,17,35,58,62,67-68,72-73H,3-10,12,14-16,18-34,36-57,59-61,63-66H2,1-2H3,(H,71,74)/b13-11-,35-17-,62-58+/t67-,68+/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/CCCCCCCCCCCCC
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StatusActive
ReferencesFrom J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms76Rings0Aromatic Rings0Rotatable Bonds65
 van der Waals
Molecular Volume
1261.31Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP23.06Molar
Refractivity
335.31