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
Exact Mass
Calculate m/z
481.449494
Sum Composition
Abbrev Chains
Cer 18:1;O2/12:0
Status
Active
3D model of Cer(d18:1/12:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
References
Other Databases
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
Avanti ID
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
Reactions
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Updated at
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