Structure Database (LMSD)

Common Name
Cer(t18:0/16:0(2OH))
Systematic Name
N-(2-hydroxyhexadecanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(2-hydroxyhexadecanoyl)-hydroxysphinganine
  • Cer[AP]
LM ID
LMSP02030015
Formula
C34H69NO5
Exact Mass
Calculate m/z
571.517574
Sum Composition
Cer 34:0;O4
Abbrev Chains
Cer 18:0;O3/16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
RHIXBFQKTNYVCX-KHDKDNTOSA-N
InChi (Click to copy)
InChI=1S/C34H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,36-39H,3-29H2,1-2H3,(H,35,40)/t30-,31+,32?,33-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

CHEBI ID
67044
PubChem CID
70678878
SwissLipids ID
SLM:000508888

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 649.07
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 9.16
Molar Refractivity 170.96

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Updated at
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