Structure Database (LMSD)

Common Name
Cer(d18:1/15:0)
Systematic Name
N-(pentadecanoyl)-sphing-4-enine
Synonyms
  • Cer[NS]
LM ID
LMSP02010120
Formula
C33H65NO3
Exact Mass
Calculate m/z
523.496444
Sum Composition
Cer 33:1;O2
Abbrev Chains
Cer 18:1;O2/15:0
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-acylsphingosines (ceramides) [SP0201]

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)
Comparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC/MS/MS.,
J Lipid Res, 2020
Pubmed ID: 32265320

String Representations

InChiKey (Click to copy)
HBULQAPKKLNTLT-STSAHMJASA-N
InChi (Click to copy)
InChI=1S/C33H65NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,31-32,35-36H,3-25,27,29-30H2,1-2H3,(H,34,37)/b28-26+/t31-,32+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
86269023
SwissLipids ID
SLM:000395715
Cayman ID
24393

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 611.55
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 10.03
Molar Refractivity 162.45

Admin

Created at
27th Apr 2020
Updated at
28th Apr 2020