Structure Database (LMSD)
Common Name
Cer(t17:0/24:0(2OH))
Systematic Name
N-(2-hydroxytetracosanoyl)-4R-hydroxyheptadecasphinganine
Synonyms
LM ID
LMSP02030087
Formula
Exact Mass
Calculate m/z
669.627124
Sum Composition
Abbrev Chains
Cer 17:0;O3/24:0;O
Status
Active
3D model of Cer(t17:0/24:0(2OH))
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Emiliania huxleyi virus sp.
(#181208)
Megaviricetes
(#2732523)
Viral serine palmitoyltransferase induces metabolic switch in sphingolipid biosynthesis and is required for infection of a marine alga.,
Proc Natl Acad Sci U S A, 2016
Proc Natl Acad Sci U S A, 2016
Pubmed ID:
26984500
String Representations
InChiKey (Click to copy)
WPOLKPIVJDIQMS-JBIFUTELSA-N
InChi (Click to copy)
InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47)/t37-,38+,39?,40-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
Aromatic Rings
Rotatable Bonds
38
Van der Waals Molecular Volume
770.17
Topological Polar Surface Area
110.02
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
11.89
Molar Refractivity
203.28
Admin
Created at
13th Oct 2021
Updated at
13th Oct 2021