Structure Database (LMSD)

Common Name
CerP(d18:1/8:0)
Systematic Name
N-(octanoyl)-sphing-4-enine-1-phosphate
Synonyms
  • C8 CerP
LM ID
LMSP02050012
Formula
C26H52NO6P
Exact Mass
Calculate m/z
505.353227
Sum Composition
CerP 26:1;O2
Abbrev Chains
CerP 18:1;O2/8:0
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

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

String Representations

InChiKey (Click to copy)
VSSNYUXSRXINIP-WRBRXSDHSA-N
InChi (Click to copy)
InChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

CHEBI ID
85881
PubChem CID
10864091
SwissLipids ID
SLM:000395790
Cayman ID
62547
PDB ID
1T9

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 536.65
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.76
Molar Refractivity 140.77

Admin

Created at
-
Updated at
-