Structure Database (LMSD)
Common Name
Cer(t18:0/26:0(2OH))
Systematic Name
N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
Synonyms
- N-(2-hydroxyhexacosanoyl)-phytoceramide
- N-(2-hydroxyhexacosanoyl)-phytoceramide
- Cer(t18:0/h26:0)
- Cer[AP]
LM ID
LMSP02030003
Status
Active
Exact Mass
Calculate m/z
711.674074
Formula
Abbrev
Abbrev Chains
Cer 18:0;O3/26:0;O
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XNLFLZXNXQVPII-YIWOKQJZSA-N
InChi (Click to copy)
InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42?,43-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC
References
Reference
H. Kitagaki et al. Isc1 regulates sphingolipid metabolism in yeast mitochondria.
BBA (2007), 1768(11):2849-2861.
R.C. Dickson. Sphingolipids. New insights into sphingolipid metabolism and function in budding yeast
JLR (2008) 49:909-921
BBA (2007), 1768(11):2849-2861.
R.C. Dickson. Sphingolipids. New insights into sphingolipid metabolism and function in budding yeast
JLR (2008) 49:909-921
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae
(#4932)
Saccharomycetes
(#4891)
Isc1 regulates sphingolipid metabolism in yeast mitochondria.,
Biochim Biophys Acta, 2007
Biochim Biophys Acta, 2007
Pubmed ID:
17880915
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
0
Aromatic Rings
0
Rotatable Bonds
41
Van der Waals Molecular Volume
822.07
Topological Polar Surface Area
110.02
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
13.06
Molar Refractivity
217.13
Admin
Created at
-
Updated at
27th May 2021