Structure Database (LMSD)

Common Name
Cer(d18:0/h26:0)
Systematic Name
N-(26-hydroxyhexacosanoyl)-sphinganine
Synonyms
  • N-(26-hydroxytetracosanyl)-dihydrosphingosine
  • ceramide-2' (sphinganine:N-C26:0OH)
  • ceramide-2'(sphinganine:NC24:omegaOH)
  • Cer[OdS]
LM ID
LMSP02020018
Formula
C44H89NO4
Exact Mass
Calculate m/z
695.679159
Sum Composition
Cer 44:0;O3
Abbrev Chains
Cer 18:0;O2/26:0;O
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

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

String Representations

InChiKey (Click to copy)
XZMFWWLYDZUCKQ-WZYYJWNZSA-N
InChi (Click to copy)
InChI=1S/C44H89NO4/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-38-43(48)42(41-47)45-44(49)39-36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-40-46/h42-43,46-48H,2-41H2,1H3,(H,45,49)/t42-,43+/m0/s1
SMILES (Click to copy)
C(CCCC)CCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO)O

Other Databases

PubChem CID
25271604

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 0
Aromatic Rings 0
Rotatable Bonds 42
Van der Waals Molecular Volume 813.28
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 13.80
Molar Refractivity 215.23

Admin

Created at
-
Updated at
7th Jan 2021