Structure Database (LMSD)

Common Name
Cer(d18:0/h24:0)
Systematic Name
N-(24-hydroxytetracosanoyl)-sphinganine
Synonyms
  • N-(24-hydroxytetracosanyl)-dihydrosphingosine
  • ceramide-2' (sphinganine:N-C24:0OH)
  • ceramide-2' (sphinganine:NC24:omegaOH)
  • Cer[OdS]
LM ID
LMSP02020017
Formula
C42H85NO4
Exact Mass
Calculate m/z
667.647859
Sum Composition
Cer 42:0;O3
Abbrev Chains
Cer 18:0;O2/h24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
ZQGNZSWBCQGWAO-WVILEFPPSA-N
InChi (Click to copy)
InChI=1S/C42H85NO4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36-41(46)40(39-45)43-42(47)37-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35-38-44/h40-41,44-46H,2-39H2,1H3,(H,43,47)/t40-,41+/m0/s1
SMILES (Click to copy)
C(CCCC)CCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCO)O

Other Databases

CHEBI ID
188236
PubChem CID
25271603

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 778.68
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 13.02
Molar Refractivity 206.00

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Created at
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Updated at
14th Oct 2024