Structure database (LMSD)

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LM IDLMSP00000018
Common NameCer(m18:0/18:0)
Systematic NameN-(octadecanoyl)-1-deoxysphinganine
SynonymsC18DH 1-deoxyCer
Exact Mass
551.5641 (neutral)    Calculate m/z:
FormulaC36H73NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242209
InChIKeySSRXXIJGSYRYGC-OIDHKYIRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H73NO2/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-36(39)37-34(3
)35(38)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h34-35,38H,4-33H2,1-3H3,(H,37,39
)/t34-,35+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
657.30Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP12.17Molar
Refractivity
174.49