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



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MDLMOL SDF CSV TSV
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Main

Classification

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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Isc1 regulates sphingolipid metabolism in yeast mitochondria.,
Biochim Biophys Acta, 2007
Pubmed ID: 17880915

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

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

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Created at
-
Updated at
27th May 2021