Structure Database (LMSD)

Common Name
Cer(d18:2/28:0(2OH))
Systematic Name
N-(2-hydroxy-octacosanoyl)-4E,14Z-sphingadienine
Synonyms
  • Cer[ASD]
LM ID
LMSP02020067
Formula
C46H89NO4
Exact Mass
Calculate m/z
719.679159
Sum Composition
Cer 46:2;O3
Abbrev Chains
Cer 18:2;O2/28:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BNWNWQJYYNDNBN-ZJKXAANASA-N
InChi (Click to copy)
InChI=1S/C46H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(50)46(51)47-43(42-48)44(49)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h8,10,38,40,43-45,48-50H,3-7,9,11-37,39,41-42H2,1-2H3,(H,47,51)/b10-8-,40-38+/t43-,44+,45?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC

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

Other Databases

PubChem CID
171119521

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 0
Aromatic Rings 0
Rotatable Bonds 41
Van der Waals Molecular Volume 842.60
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 14.13
Molar Refractivity 224.28

Admin

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