Structure Database (LMSD)
Common Name
Cer(d12:0/14:0)
Systematic Name
N-(tetradecanoyl)-tetradeca-sphinganine
Synonyms
LM ID
LMSP02020072
Formula
Exact Mass
Calculate m/z
427.402544
Sum Composition
Abbrev Chains
Cer 12:0;O2/14:0
Status
Active
3D model of Cer(d12:0/14:0)
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)
QEENFPVDWIXKIL-LOSJGSFVSA-N
InChi (Click to copy)
InChI=1S/C26H53NO3/c1-3-5-7-9-11-12-13-14-16-18-20-22-26(30)27-24(23-28)25(29)21-19-17-15-10-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Negombata
(#81542)
Demospongiae
(#6042)
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
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
493.09
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
7.52
Molar Refractivity
130.23
Admin
Created at
26th Feb 2021
Updated at
26th Feb 2021