Structure Database (LMSD)

H NH O OH P HO O O OH H
Common Name
CerP(d18:1/24:0)
Systematic Name
N-(tetracosanoyl)-sphing-4-enine-1-phosphate
Synonyms
  • C24 CerP
LM ID
LMSP02050008
Formula
C42H84NO6P
Exact Mass
Calculate m/z
729.603627
Sum Composition
CerP 42:1;O2
Abbrev Chains
CerP 18:1;O2/24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]

String Representations

InChiKey (Click to copy)
SEEJZRCEDNOVGA-AUTSUKAISA-N
InChi (Click to copy)
InChI=1S/C42H84NO6P/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/h35,37,40-41,44H,3-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b37-35+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0010704
CHEBI ID
73137
PubChem CID
5283587
SwissLipids ID
SLM:000395793

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 813.45
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 14.00
Molar Refractivity 214.64

Reactions

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Reactions graph legend

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Created at
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Updated at
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