Structure Database (LMSD)

Common Name
Cer(d18:2/16:0(2OH))
Systematic Name
N-(2-hydroxy-hexadecanoyl)-4E,14Z-sphingadienine
Synonyms
  • Cer[ASD]
LM ID
LMSP02020061
Formula
C34H65NO4
Exact Mass
Calculate m/z
551.491359
Sum Composition
Cer 34:2;O3
Abbrev Chains
Cer 18:2;O2/16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

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)
LIRFJSKYSWUDIW-RETKOICDSA-N
InChi (Click to copy)
InChI=1S/C34H65NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h7,9,26,28,31-33,36-38H,3-6,8,10-25,27,29-30H2,1-2H3,(H,35,39)/b9-7-,28-26+/t31-,32+,33?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC

Other Databases

PubChem CID
171119512

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 635.00
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 9.45
Molar Refractivity 168.88

Admin

Created at
18th May 2020
Updated at
12th Mar 2024