Structure Database (LMSD)
Common Name
Cer(d18:1/18:1(9Z))
Systematic Name
N-(9Z-octadecenoyl)-sphing-4-enine
Synonyms
- C18:1 Cer
- N-(9Z-octadecenoyl)-ceramide
- N-(oleoyl)-ceramide
- N-oleoyl-sphingosine
- Cer[NS]
LM ID
LMSP02010003
Formula
Exact Mass
Calculate m/z
563.527744
Sum Composition
Abbrev Chains
Cer 18:1;O2/18:1
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(d18:1/18:1(9Z))
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
Reactions
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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)
OBFSLMQLPNKVRW-RHPAUOISSA-N
InChi (Click to copy)
InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCC/C=C\CCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
660.81
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
10.98
Molar Refractivity
176.21
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Updated at
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