Structure database (LMSD)

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LM IDLMSP02040034
Common Nameω-linoleoyloxy-Cer(d17:1/32:0)
Systematic NameN-(32-(9Z,12Z-octadecadienoyloxy)-dotriacontanoyl)-heptadecasphing-4E-enine
SynonymsCer[EOS]; N-(32-linoleoyloxy-dotriacontanoyl)-heptadecasphing-4E-enine;
Cer(d17:1/32:0;18:2(9Z,12Z))
Exact Mass
1025.9714 (neutral)    Calculate m/z:
FormulaC67H127NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyDQYJQCJSFSARNN-ZMAOCFBASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C67H127NO5/c1-3-5-7-9-11-13-15-17-33-37-41-45-49-53-57-61-67(72)73-62-58-54-50-46-42-38-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-36-40-44-48-52-56-60-66(71)68-64(63-69)65(70)59-55-51-47-43-39-16-14-12-10-8-6-4-2/h11,13,17,33,55,59,64-65,69-70H,3-10,12,14-16,18-32,34-54,56-58,60-63H2,1-2H3,(H,68,71)/b13-11-,33-17-,59-55+/t64-,65+/m0/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/CCCCCCCCCCCC
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StatusActive
ReferencesFrom J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms73Rings0Aromatic Rings0Rotatable Bonds62
 van der Waals
Molecular Volume
1209.41Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP21.89Molar
Refractivity
321.46