Structure Database (LMSD)
Common Name
CerP(d18:0/16:0)
Systematic Name
N-(hexadecanoyl)-sphinganine-1-phosphate
Synonyms
- C16DH CerP
- C16 dihydroceramide-1-phosphate
- dihydroceramide phosphate
LM ID
LMSP02050003
Formula
Exact Mass
Calculate m/z
619.494077
Sum Composition
Abbrev Chains
CerP 18:0;O2/16:0
Status
Active
3D model of CerP(d18:0/16:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
ILHPMPAVRAZOJB-JHOUSYSJSA-N
InChi (Click to copy)
InChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
677.69
Topological Polar Surface Area
116.09
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
11.10
Molar Refractivity
177.80
Admin
Created at
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Updated at
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