Structure database (LMSD)

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LM IDLMSP02040050
Common Nameω-linoleoyloxy-Cer(d20:1/26:0)
Systematic NameN-(26-(9Z,12Z-octadecadienoyloxy)-hexacosanoyl)-eicosasphing-4E-enine
SynonymsCer[EOS]; N-(26-linoleoyloxy-hexacosanoyl-eicosasphing-4E-enine;
Cer(d20:1/26:0;18:2(9Z,12Z))
Exact Mass
983.9245 (neutral)    Calculate m/z:
FormulaC64H121NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassAcylceramides [SP0204]
PubChem CID-
InChIKeyQDTAZJNBZYPELG-PFCXGVKMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C64H121NO5/c1-3-5-7-9-11-13-15-17-28-32-36-40-44-48-52-56-62(67)61(60-66)65-63(68)57-53-49-45-41-37-33-30-26-24-22-20-19-21-23-25-27-31-35-39-43-47-51-55-59-70-64(69)58-54-50-46-42-38-34-29-18-16-14-12-10-8-6-4-2/h12,14,18,29,52,56,61-62,66-67H,3-11,13,15-17,19-28,30-51,53-55,57-60H2,1-2H3,(H,65,68)/b14-12-,29-18-,56-52+/t61-,62+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCCC
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StatusActive
ReferencesFrom J.Wray
Calculated physicochemical properties (?):
 Heavy Atoms70Rings0Aromatic Rings0Rotatable Bonds59
 van der Waals
Molecular Volume
1157.51Topological Polar
Surface Area
95.86Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP20.72Molar
Refractivity
307.60