Structure database (LMSD)

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LM IDLMSP02020009
Common NameCer(d18:0/20:0)
Systematic NameN-(eicosanoyl)-sphinganine
SynonymsC20DH Cer; N-(eicosanoyl)-dihydroceramide; N-(eicosanoyl)-dihydroceramide;
Cer[NdS]
Exact Mass
595.5903 (neutral)    Calculate m/z:
FormulaC38H77NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID5283574
HMDB IDHMDB0011764
SWISSLIPIDS IDSLM:000000597
InChIKeyZWAUSWHRQBSECP-PQQNNWGCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39
-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-
2H3,(H,39,42)/t36-,37+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms42Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
700.69Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP12.20Molar
Refractivity
185.63