Structure Database (LMSD)

Common Name
CerP(d18:1/16:0[2OH])
Systematic Name
N-(2-hydroxyhexadecanoyl)-sphing-4-enine-1-phosphate
Synonyms
LM ID
LMSP02050015
Formula
C34H68NO7P
Exact Mass
Calculate m/z
633.473342
Sum Composition
CerP 34:1;O3
Abbrev Chains
CerP 18:1;O2/16:0;O
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Analysis of Molecular Species Profiles of Ceramide-1-phosphate and Sphingomyelin Using MALDI-TOF Mass Spectrometry.,
Lipids, 2016
Pubmed ID: 26694604

String Representations

InChiKey (Click to copy)
FIEVMAGWIQBIIH-HOXYDHSRSA-N
InChi (Click to copy)
InChI=1S/C34H68NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(36)31(30-42-43(39,40)41)35-34(38)33(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-37H,3-25,27,29-30H2,1-2H3,(H,35,38)(H2,39,40,41)/b28-26+/t31-,32+,33?/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
171119592

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 683.84
Topological Polar Surface Area 136.32
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 10.14
Molar Refractivity 179.60

Admin

Created at
4th Oct 2020
Updated at
5th Nov 2024