Structure Database (LMSD)
Common Name
Cer(d18:0/36:0(36OH))
Systematic Name
N-(36-hydroxy-hexatriacontanoyl)-sphinganine
Synonyms
- N-(36-hydroxy-hexatriacontanoyl)-dihydroceramide
- N-(omega-hydroxy-hexatriacontanoyl)-dihydroceramide
- Cer[ODS]
LM ID
LMSP02020048
Status
Active
Exact Mass
Calculate m/z
835.835659
Formula
Abbrev
Abbrev Chains
Cer 18:0;O2/36:0;O
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FMCQPGHMQQBHKJ-SSGPOVAZSA-N
InChi (Click to copy)
InChI=1S/C54H109NO4/c1-2-3-4-5-6-7-8-30-33-36-39-42-45-48-53(58)52(51-57)55-54(59)49-46-43-40-37-34-31-28-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-29-32-35-38-41-44-47-50-56/h52-53,56-58H,2-51H2,1H3,(H,55,59)/t52-,53+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
59
Rings
0
Aromatic Rings
0
Rotatable Bonds
52
Van der Waals Molecular Volume
986.28
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
17.70
Molar Refractivity
261.40
Reactions
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Admin
Created at
24th Apr 2020
Updated at
24th Apr 2020