Structure Database (LMSD)

OH OH H NH OH OH H O
Common Name
Cer(t20:0/16:0(2OH))
Systematic Name
N-(2-hydroxyhexadecanoyl)-4R-hydroxyeicosasphinganine
Synonyms
  • N-(2-hydroxyhexadecanoyl)-hydroxyeicosasphinganine
  • Cer[AP]
LM ID
LMSP02030019
Formula
C36H73NO5
Exact Mass
Calculate m/z
599.548874
Sum Composition
Cer 36:0;O4
Abbrev Chains
Cer 20:0;O3/16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
JSSVCJYNHKRXQW-MFZOPHKMSA-N
InChi (Click to copy)
InChI=1S/C36H73NO5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-33(39)35(41)32(31-38)37-36(42)34(40)30-28-26-24-22-19-16-14-12-10-8-6-4-2/h32-35,38-41H,3-31H2,1-2H3,(H,37,42)/t32-,33+,34?,35-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Mass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae.,
Yeast, 2006
Pubmed ID: 16652392

Other Databases

CHEBI ID
67020
PubChem CID
70678865
SwissLipids ID
SLM:000508904

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 683.67
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 9.94
Molar Refractivity 180.20

Admin

Created at
-
Updated at
-