Structure database (LMSD)

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LM IDLMSP02040052
Common Nameω-linoleoyloxy-Cer(d20:1/28:0)
Systematic NameN-(28-(9Z,12Z-octadecadienoyloxy)-octacosanoyl)-eicosasphing-4E-enine
SynonymsCer[EOS]; N-(28-linoleoyloxy-octacosanoyl)-eicosasphing-4E-enine;
Cer(d20:1/28:0;18:2(9Z,12Z))
Exact Mass
1011.9558 (neutral)    Calculate m/z:
FormulaC66H125NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
AbbrevACer 66:3;O3
PubChem CID-
InChIKeyFMDVEEFOIARNHJ-RORRYWBVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-30-34-38-42-46-50-54-58-64(69)63(62-68)67-65(70)59-55-51-47-43-39-35-32-28-26-24-22-20-19-21-23-25-27-29-33-37-41-45-49-53-57-61-72-66(71)60-56-52-48-44-40-36-31-18-16-14-12-10-8-6-4-2/h12,14,18,31,54,58,63-64,68-69H,3-11,13,15-17,19-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b14-12-,31-18-,58-54+/t63-,64+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCCC
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StatusActive
CommentsSubmitted by J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms72Rings0Aromatic Rings0Rotatable Bonds61
 van der Waals
Molecular Volume
1192.11Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP21.50Molar
Refractivity
316.84