Structure database (LMSD)

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LM IDLMSP02040022
Common Nameω-linoleoyloxy-Cer(t18:1(6OH)/32:0)
Systematic NameN-(32-(9Z,12Z-octadecadienoyloxy)-dotriacontanoyl)-6R-hydroxy-sphing-4E-enine
SynonymsCer[EOH]; N-(32-linoleoyloxy-dotriacontanoyl)-6-hydroxy-sphing-4E-enine;
Cer(d18:1(6OH)/32:0;18:2(9Z,12Z))
Exact Mass
1055.9820 (neutral)    Calculate m/z:
FormulaC68H129NO6
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyBHVSHIWHUCTIKV-KDEOQDHTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C68H129NO6/c1-3-5-7-9-11-13-15-16-32-36-39-43-47-51-55-59-68(74)75-62-56-52-48-44-40-37-34-31-29-27-25-23-21-19-17-18-20-22-24-26-28-30-33-35-38-42-46-50-54-58-67(73)69-65(63-70)66(72)61-60-64(71)57-53-49-45-41-14-12-10-8-6-4-2/h11,13,16,32,60-61,64-66,70-72H,3-10,12,14-15,17-31,33-59,62-63H2,1-2H3,(H,69,73)/b13-11-,32-16-,61-60+/t64-,65+,66-/m1/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/[C@H](O)CCCCCCCCCCCC
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StatusActive
ReferencesTo be published
Calculated physicochemical properties (?):
 Heavy Atoms75Rings0Aromatic Rings0Rotatable Bonds63
 van der Waals
Molecular Volume
1235.50Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP21.54Molar
Refractivity
327.97