Structure database (LMSD)

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LM IDLMSP02010045
Common NameCer(d15:1/24:0)
Systematic NameN-(tetracosanoyl)-pentadecasphing-4-enine
SynonymsCer(d15:1(4E)/24:0); Cer[NS]
Exact Mass
607.5903 (neutral)    Calculate m/z:
FormulaC39H77NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID70698936
InChIKeyJJKDXNZRDLNBGR-PQPBPFPMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C39H77NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33
-35-39(43)40-37(36-41)38(42)34-32-30-28-26-14-12-10-8-6-4-2/h32,34,37-38,41-42H,
3-31,33,35-36H2,1-2H3,(H,40,43)/b34-32+/t37-,38+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms43Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
715.35Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP12.37Molar
Refractivity
190.15