Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02020018
Common NameCer(d18:0/h26:0)
Systematic NameN-(26-hydroxyhexacosanoyl)-sphinganine
SynonymsN-(26-hydroxytetracosanyl)-dihydrosphingosine; ceramide-2' (sphinganine:N-
C26:0OH); ceramide-2'(sphinganine:NC24:ωOH); Cer[OdS]
Exact Mass
695.6792 (neutral)    Calculate m/z:
FormulaC44H89NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID25271604
CHEBI ID52372
InChIKeyXZMFWWLYDZUCKQ-WZYYJWNZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H89NO4/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-38-43(48)42(41-47)45-44(49
)39-36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-40-46/h4
2-43,46-48H,2-41H2,1H3,(H,45,49)/t42-,43+/m0/s1
SMILESC(CCCC)CCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms49Rings0Aromatic Rings0Rotatable Bonds42
 van der Waals
Molecular Volume
813.28Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP13.80Molar
Refractivity
215.23