Structure Database (LMSD)

Common Name
CerP(d18:1/2:0)
Systematic Name
N-(acetyl)-sphing-4-enine-1-phosphate
Synonyms
  • C2-ceramide 1-phosphate
LM ID
LMSP02050014
Formula
C20H40NO6P
Exact Mass
Calculate m/z
421.259327
Sum Composition
CerP 20:1;O2
Abbrev Chains
CerP 18:1;O2/2:0
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 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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Reactions graph legend

String Representations

InChiKey (Click to copy)
HWPZKJVGDYNEAW-QUDYQQOWSA-N
InChi (Click to copy)
InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1
SMILES (Click to copy)
C(/[C@H]([C@H](COP(O)(O)=O)NC(=O)C)O)=C\CCCCCCCCCCCCC

Other Databases

CHEBI ID
46981
PubChem CID
15199918
SwissLipids ID
SLM:000395777
PDB ID
1PW

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 432.85
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.42
Molar Refractivity 113.07

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Updated at
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