Structure database (LMSD)

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LM IDLMSP00000019
Common NameCer(m18:0/16:0)
Systematic NameN-(hexadecanoyl)-1-deoxysphinganine
SynonymsC16DH 1-deoxyCer
Exact Mass
523.5328 (neutral)    Calculate m/z:
FormulaC34H69NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID10118967
InChIKeyXDORUNOFOLESEM-JHOUSYSJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37)/t32-,33+/m0/s1
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SMILES
[C@](C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
622.70Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP11.39Molar
Refractivity
165.26