LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Cer(t18:1(8Z)/20:0(2OH[R]))

Systematic Name

N-(2R-hydroxyeicosanoyl)-4R-hydroxy-8Z-octadecasphingenine

Synonyms

LM ID

LMSP02030025

Formula

C₃₈H₇₅NO₅

Exact Mass

Calculate m/z

625.564524

Sum Composition

Cer 38:1;O4

Abbrev Chains

Cer 18:1;O3/20:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

RIAQFLRTXLRBQM-MSSQOGCLSA-N

InChi (Click to copy)

InChI=1S/C38H75NO5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h23,25,34-37,40-43H,3-22,24,26-33H2,1-2H3,(H,39,44)/b25-23-/t34-,35+,36+,37-/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCC/C=C\CCCCCCCCC

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dracontium (#174208)

Magnoliopsida (#3398)

Qualitative on-line profiling of ceramides and cerebrosides by high performance liquid chromatography coupled with electrospray ionization ion trap tandem mass spectrometry: the case of Dracontium loretense.,
J Pharm Biomed Anal, 2011

Pubmed ID: 21282027