Structure Database (LMSD)
Common Name
CerP(d18:1/16:0[2OH])
Systematic Name
N-(2-hydroxyhexadecanoyl)-sphing-4-enine-1-phosphate
Synonyms
LM ID
LMSP02050015
Formula
Exact Mass
Calculate m/z
633.473342
Sum Composition
Abbrev Chains
CerP 18:1;O2/16:0;O
Status
Active
3D model of CerP(d18:1/16:0[2OH])
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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References
String Representations
InChiKey (Click to copy)
FIEVMAGWIQBIIH-HOXYDHSRSA-N
InChi (Click to copy)
InChI=1S/C34H68NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(36)31(30-42-43(39,40)41)35-34(38)33(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-37H,3-25,27,29-30H2,1-2H3,(H,35,38)(H2,39,40,41)/b28-26+/t31-,32+,33?/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
683.84
Topological Polar Surface Area
136.32
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
10.14
Molar Refractivity
179.60
Admin
Created at
4th Oct 2020
Updated at
5th Nov 2024