Structure Database (LMSD)

H NH OH O OH H
Common Name
Cer(d18:0/24:0)
Systematic Name
N-(tetracosanoyl)-sphinganine
Synonyms
  • C24DH Cer
  • N-(tetracosanoyl)-dihydroceramide
  • N-(tetracosanoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020012
Formula
C42H85NO3
Exact Mass
Calculate m/z
651.652944
Sum Composition
Cer 42:0;O2
Abbrev Chains
Cer 18:0;O2/24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Main

Classification

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

String Representations

InChiKey (Click to copy)
BPLYVSYSBPLDOA-WVILEFPPSA-N
InChi (Click to copy)
InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

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

Other Databases

HMDB ID
HMDB0011768
CHEBI ID
52961
PubChem CID
5283577
SwissLipids ID
SLM:000000491
Cayman ID
25602

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 769.89
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 13.77
Molar Refractivity 204.10

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

Admin

Created at
-
Updated at
-