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
No other lipid differing only in stereochemistry/bond geometry found
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
Classification
Category
Main Class
Sub Class
Reactions
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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
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
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Updated at
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