Structure Database (LMSD)
Common Name
1-O-myristoyl-Cer(d18:1/18:0)
Systematic Name
1-O-tetradecanoyl-N-(octadecanoyl)-sphing-4-enine
Synonyms
- Cer[1-O-ENS]
- Cer(14:0
- d18:1/18:0)
LM ID
LMSP02040012
Formula
Exact Mass
Calculate m/z
775.741759
Sum Composition
Abbrev Chains
1-O-myristoyl-Cer 18:1;O2/18:0
Status
Active
3D model of 1-O-myristoyl-Cer(d18:1/18:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
WZKQHOPBHSWBAY-ADZUIXFGSA-N
InChi (Click to copy)
InChI=1S/C50H97NO4/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-49(53)51-47(46-55-50(54)45-42-39-36-33-28-21-18-15-12-9-6-3)48(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h40,43,47-48,52H,4-39,41-42,44-46H2,1-3H3,(H,51,53)/b43-40+/t47-,48+/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
0
Aromatic Rings
0
Rotatable Bonds
46
Van der Waals Molecular Volume
911.80
Topological Polar Surface Area
75.63
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
16.45
Molar Refractivity
241.25
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Created at
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Updated at
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