Structure Database (LMSD)
Common Name
CerP(d18:1/18:0)
Systematic Name
N-(octadecanoyl)-sphing-4-enine-1-phosphate
Synonyms
- C18 CerP
LM ID
LMSP02050004
Formula
Exact Mass
Calculate m/z
645.509727
Sum Composition
Abbrev Chains
CerP 18:1;O2/18:0
Status
Active
3D model of CerP(d18:1/18:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
ZQQLMECVOXKFJK-NXCSZAMKSA-N
InChi (Click to copy)
InChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b31-29+/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
34
Van der Waals Molecular Volume
709.65
Topological Polar Surface Area
116.09
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
11.66
Molar Refractivity
186.94
Admin
Created at
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Updated at
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