Structure database (LMSD)

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LM IDLMSP02050002
Common NameCerP(d18:1/16:0)
Systematic NameN-(hexadecanoyl)-sphing-4-enine-1-phosphate
SynonymsC16 CerP
Exact Mass
617.4784 (neutral)    Calculate m/z:
FormulaC34H68NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID5283581
HMDB IDHMDB0010700
SWISSLIPIDS IDSLM:000390208
InChIKeyUNRULDRRONAKLU-TURZORIXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(3
8,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,
28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms42Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
675.05Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP10.88Molar
Refractivity
177.70