Structure Database (LMSD)
Common Name
Cer(d18:1/17:0)
Systematic Name
N-(heptadecanoyl)-sphing-4-enine
Synonyms
- Cer[NS]
LM ID
LMSP02010020
Formula
Exact Mass
Calculate m/z
551.527744
Sum Composition
Abbrev Chains
Cer 18:1;O2/17:0
Status
Curated
3D model of Cer(d18:1/17:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
C17 Ceramide is a synthetic ceramide that contains a non-natural C17:0 fatty acid acylated to sphingosine.1 It has been used as a marker of arylsulfatase A and sphingolipid activator B activity in patients undergoing enzyme replacement therapy for the genetic disease metachromatic leukodystrophy. [Matreya, LLC. Catalog No. 2038]
This information has been provided by Cayman Chemical
References
1. Cui, Y., Colsch, B., Afonso, C., et al. Synthetic sulfogalactosylceramide (sulfatide) and its use for the mass spectrometric quantitative urinary determination in metachromatic leukodystrophies. Glycoconj. J. 25(2), 147-155 (2008).
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](https://lipidmaps.org/assets/images/reactions/Legend_LMSD.png)
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
ICWGMOFDULMCFL-QKSCFGQVSA-N
InChi (Click to copy)
InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
646.15
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
10.81
Molar Refractivity
171.68
Admin
Created at
-
Updated at
-