Structure database (LMSD)

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LM IDLMSP02020052
Common NameCer(d18:0/23:0)
Systematic NameN-(tricosanoyl)-sphinganine
SynonymsN-(tricosanoyl)-dihydroceramide; Cer[NDS]
Exact Mass
637.6373 (neutral)    Calculate m/z:
FormulaC41H83NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID53481049
HMDB IDHMDB0011767
SWISSLIPIDS IDSLM:000487556
InChIKeyFTSDYFFYZJTACJ-IOLBBIBUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C41H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,42,45)/t39-,40+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
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StatusActive
ReferencesComparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC-MS/MS.
J Lipid Res. 2020
DOI: 10.1194/jlr.RA120000671
PMID: 32265320
Calculated physicochemical properties (?):
 Heavy Atoms45Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
752.59Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP13.38Molar
Refractivity
199.48