Structure Database (LMSD)
Common Name
meCer(d19:1/24:0)
Systematic Name
N-(tetracosanoyl)-16S-methylsphing-4-enine
Synonyms
LM ID
LMSP02010224
Formula
Exact Mass
Calculate m/z
663.652944
Sum Composition
Status
Active
3D model of meCer(d19:1/24:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WIRLNJFWUPWWPC-NEGXYRBSSA-N
InChi (Click to copy)
InChI=1S/C43H85NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-38-43(47)44-41(39-45)42(46)37-34-31-28-25-23-22-24-27-30-33-36-40(3)5-2/h34,37,40-42,45-46H,4-33,35-36,38-39H2,1-3H3,(H,44,47)/b37-34+/t40-,41-,42+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC[C@@H](C)CC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Subunit composition of the mammalian serine-palmitoyltransferase defines the spectrum of straight and methyl-branched long-chain bases.,
Proc Natl Acad Sci U S A, 2020
Proc Natl Acad Sci U S A, 2020
Pubmed ID:
32576697
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
Aromatic Rings
Rotatable Bonds
38
Van der Waals Molecular Volume
784.55
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
13.79
Molar Refractivity
208.55
Admin
Created at
13th Jun 2023
Updated at
13th Jun 2023