Structure database (LMSD)

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LM IDLMSP02040033
Common Nameω-linoleoyloxy-Cer(d17:1/33:0)
Systematic NameN-(33-(9Z,12Z-octadecadienoyloxy)-tritriacontanoyl)-heptadecasphing-4E-enine
SynonymsCer[EOS]; N-(33-linoleoyloxy-tritriacontanoyl)-heptadecasphing-4E-enine;
Cer(d17:1/33:0;18:2(9Z,12Z))
Exact Mass
1039.9871 (neutral)    Calculate m/z:
FormulaC68H129NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyBKYOUBHZEKKIBG-VYSXIRNFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C68H129NO5/c1-3-5-7-9-11-13-15-17-34-38-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-39-36-33-31-29-27-25-23-21-19-18-20-22-24-26-28-30-32-35-37-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-40-16-14-12-10-8-6-4-2/h11,13,17,34,56,60,65-66,70-71H,3-10,12,14-16,18-33,35-55,57-59,61-64H2,1-2H3,(H,69,72)/b13-11-,34-17-,60-56+/t65-,66+/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/CCCCCCCCCCCC
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StatusActive
ReferencesFrom J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms74Rings0Aromatic Rings0Rotatable Bonds63
 van der Waals
Molecular Volume
1226.71Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP22.28Molar
Refractivity
326.07