Structure Database (LMSD)
Common Name
CerP(d18:1/24:1(15Z))
Systematic Name
N-(15Z-tetracosenoyl)-sphing-4-enine-1-phosphate
Synonyms
- C24:1 CerP
LM ID
LMSP02050007
Formula
Exact Mass
Calculate m/z
727.587977
Sum Composition
Abbrev Chains
CerP 18:1;O2/24:1
Status
Active
3D model of CerP(d18:1/24:1(15Z))
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
RURFWJXZZZCIOZ-KPEYJIHVSA-N
InChi (Click to copy)
InChI=1S/C42H82NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44H,3-16,19-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b18-17-,37-35+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
810.81
Topological Polar Surface Area
116.09
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
13.78
Molar Refractivity
214.54
Reactions
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Created at
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Updated at
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