Structure Database (LMSD)

Common Name
Cer(d18:0/18:1(9Z))
Systematic Name
N-(9Z-octadecenoyl)-sphinganine
Synonyms
  • C18:1DH Cer
  • N-(9Z-octadecenoyl)-dihydroceramide
  • N-(oleoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020015
Formula
C36H71NO3
Exact Mass
Calculate m/z
565.543394
Sum Composition
Cer 36:1;O2
Abbrev Chains
Cer 18:0;O2/18:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

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
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
MJQIARGPQMNBGT-WWUCIAQXSA-N
InChi (Click to copy)
InChI=1S/C36H71NO3/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/h17-18,34-35,38-39H,3-16,19-33H2,1-2H3,(H,37,40)/b18-17-/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0011763
CHEBI ID
74100
PubChem CID
6442676
SwissLipids ID
SLM:000000599

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 663.45
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 11.20
Molar Refractivity 176.30

Admin

Created at
-
Updated at
-