Structure database (LMSD)

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LM IDLMSP02030004
Common NameCer(t18:0/24:0)
Systematic NameN-(tetracosanoyl)-4R-hydroxysphinganine
Synonymsceramide-2 (phytosphingosine:N-C24:0); N-(tetracosanoyl)-phytoceramide; N-
(tetracosanoyl)-phytoceramide; Cer[NP]
Exact Mass
667.6479 (neutral)    Calculate m/z:
FormulaC42H85NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
AbbrevCer 42:0;O3
Abbrev ChainsCer 18:0;O3/24:0
PubChem CID10462091
CHEBI ID52979
SWISSLIPIDS IDSLM:000395648
CAYMAN ID22827
InChIKeyZESJDNWGTANZCC-LFVSMIGWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1
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SMILES
C(CCCC)CCCCCCCCC[C@@H](O)[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O
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MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms47Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
778.68Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP13.02Molar
Refractivity
206.00