Structure database (LMSD)

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LM IDLMSP02050012
Common NameCerP(d18:1/8:0)
Systematic NameN-(octanoyl)-sphing-4-enine-1-phosphate
SynonymsC8 CerP
Exact Mass
505.3532 (neutral)    Calculate m/z:
FormulaC26H52NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID10864091
SWISSLIPIDS IDSLM:000395790
CAYMAN ID62547
InChIKeyVSSNYUXSRXINIP-WRBRXSDHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(3
0,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,2
9)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms34Rings0Aromatic Rings0Rotatable Bonds24
 van der Waals
Molecular Volume
536.65Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP7.76Molar
Refractivity
140.77