Structure database (LMSD)

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LM IDLMSP02030050
Common NameCer(t18:1(6OH)/30:0(30OH))
Systematic NameN-(30-hydroxy-triacontanoyl)-6R-hydroxy-sphing-4E-enine
SynonymsN-(30-hydroxy-triacontanoyl)-hydroxyceramide; N-(ω-hydroxy-triacontanoyl)-
hydroxyceramide; Cer[OH]
Exact Mass
765.7210 (neutral)    Calculate m/z:
FormulaC48H95NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
AbbrevCer 48:1;O4
Abbrev ChainsCer 18:1;O3/30:0;O
PubChem CID11262782
InChIKeyQLQOFLVTEGHRHA-VLZBYBDGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C48H95NO5/c1-2-3-4-5-6-7-27-30-33-36-39-45(52)41-42-47(53)46(44-51)49-48(54)40-37-34-31-28-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-29-32-35-38-43-50/h41-42,45-47,50-53H,2-40,43-44H2,1H3,(H,49,54)/b42-41+/t45-,46+,47-/m1/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=O)[C@]([H])(O)/C=C/[C@H](O)CCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms54Rings0Aromatic Rings0Rotatable Bonds45
 van der Waals
Molecular Volume
888.63Topological Polar
Surface Area
110.02Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP14.40Molar
Refractivity
235.51