Structure Database (LMSD)
Common Name
Cer(d16:1/22:0)
Systematic Name
N-(docosanoyl)-hexadecasphing-4-enine
Synonyms
- Cer[NS]
LM ID
LMSP02010016
Status
Active
Exact Mass
Calculate m/z
593.574694
Formula
Abbrev
Abbrev Chains
Cer 16:1;O2/22:0
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RIGQYOKCOHPLTC-NUKVNZTCSA-N
InChi (Click to copy)
InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
34
Van der Waals Molecular Volume
698.05
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
11.98
Molar Refractivity
185.54
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Updated at
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