Structure database (LMSD)

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LM IDLMSP00000017
Common NameCer(m18:0/20:0)
Systematic NameN-(eicosanoyl)-1-deoxysphinganine
SynonymsC20DH 1-deoxyCer
Exact Mass
579.5954 (neutral)    Calculate m/z:
FormulaC38H77NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242208
InChIKeyDAGLNHFUFDIHKX-PQQNNWGCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H77NO2/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-38(41)3
9-36(3)37(40)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h36-37,40H,4-35H2,1-3H3,(H
,39,41)/t36-,37+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms41Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
691.90Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP12.95Molar
Refractivity
183.73