Structure database (LMSD)

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LM IDLMSP02050001
Common NameCerP(d18:1/12:0)
Systematic NameN-(dodecanoyl)-sphing-4-enine-1-phosphate
SynonymsN-lauroyl-ceramide-1-phosphate
Exact Mass
561.4158 (neutral)    Calculate m/z:
FormulaC30H60NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID5283580
HMDB IDHMDB0010699
SWISSLIPIDS IDSLM:000395781
InChIKeyKXEMZGPJXBKYJP-VARSQMIESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(3
4,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1
-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1
SMILESP(=O)(OC[C@]([H])(NC(=O)CCCCCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC)(O)O
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
605.85Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP9.32Molar
Refractivity
159.23