Structure database (LMSD)

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LM IDLMSP02050011
Common NameCerP(d18:1/26:1(17Z))
Systematic NameN-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphate
SynonymsC26:1 CerP
Exact Mass
755.6193 (neutral)    Calculate m/z:
FormulaC44H86NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID126457739
SWISSLIPIDS IDSLM:000395745
InChIKeyGLKCYFNEMOJHTR-BWFPRIDFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H86NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-3
4-36-38-40-44(47)45-42(41-51-52(48,49)50)43(46)39-37-35-33-31-29-27-16-14-12-10-
8-6-4-2/h17-18,37,39,42-43,46H,3-16,19-36,38,40-41H2,1-2H3,(H,45,47)(H2,48,49,50
)/b18-17-,39-37+/t42-,43+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCC
CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms52Rings0Aromatic Rings0Rotatable Bonds41
 van der Waals
Molecular Volume
845.41Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP14.56Molar
Refractivity
223.78