Structure database (LMSD)

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LM IDLMSP00000015
Common NameCer(m18:0/24:0)
Systematic NameN-(tetracosanoyl)-1-deoxysphinganine
SynonymsC24DH 1-deoxyCer
Exact Mass
635.6580 (neutral)    Calculate m/z:
FormulaC42H85NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242206
InChIKeyPTDCLRQOABWOQP-WVILEFPPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H85NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-3
7-39-42(45)43-40(3)41(44)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h40-41,44H,4-3
9H2,1-3H3,(H,43,45)/t40-,41+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms45Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
761.10Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP14.51Molar
Refractivity
202.20