Structure database (LMSD)

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LM IDLMSP02050013
Common NameCerP(d18:1/14:0)
Systematic NameN-(tetradecanoyl)-sphing-4-enine-1-phosphate
SynonymsC14 CerP
Exact Mass
589.4471 (neutral)    Calculate m/z:
FormulaC32H64NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID70698983
SWISSLIPIDS IDSLM:000395794
InChIKeySKNPSPOYFIEDJT-JHRQRACZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H64NO6P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(34)30(29-39-40(3
6,37)38)33-32(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34H,3-24,26,28-
29H2,1-2H3,(H,33,35)(H2,36,37,38)/b27-25+/t30-,31+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
640.45Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP10.10Molar
Refractivity
168.47