Structure Database (LMSD)

Common Name
CerP(d18:1/26:1(17Z))
Systematic Name
N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphate
Synonyms
  • C26:1 CerP
LM ID
LMSP02050011
Formula
C44H86NO6P
Exact Mass
Calculate m/z
755.619277
Sum Composition
CerP 44:2;O2
Abbrev Chains
CerP 18:1;O2/26:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
GLKCYFNEMOJHTR-BWFPRIDFSA-N
InChi (Click to copy)
InChI=1S/C44H86NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(47)45-42(41-51-52(48,49)50)43(46)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,42-43,46H,3-16,19-36,38,40-41H2,1-2H3,(H,45,47)(H2,48,49,50)/b18-17-,39-37+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
126457739
SwissLipids ID
SLM:000395745

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 0
Aromatic Rings 0
Rotatable Bonds 41
Van der Waals Molecular Volume 845.41
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 14.56
Molar Refractivity 223.78

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Created at
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Updated at
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