Structure Database (LMSD)

Common Name
Cer(d18:1/12:0)
Systematic Name
N-(dodecanoyl)-sphing-4-enine
Synonyms
  • N-(dodecanoyl)-ceramide
  • N-(dodecanoyl)-ceramide
  • Cer[NS]
LM ID
LMSP02010002
Formula
C30H59NO3
Exact Mass
Calculate m/z
481.449494
Sum Composition
Cer 30:1;O2
Abbrev Chains
Cer 18:1;O2/12:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Classification

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

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)
HXFPPRPLRSPNIB-VARSQMIESA-N
InChi (Click to copy)
InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0004947
CHEBI ID
72956
PubChem CID
5283562
SwissLipids ID
SLM:000389558
Cayman ID
22530
Avanti ID
LM2212

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 559.65
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 8.86
Molar Refractivity 148.60

Admin

Created at
-
Updated at
-