LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d18:2(4E,8Z)/18:0(2OH[R]))

Systematic Name

N-(2R-hydroxyoctadecanoyl)-4E,8Z-octadecasphingadienine

Synonyms

N-2-hydroxyoctadecanoyl-4,8-sphingadienine

LM ID

LMSP02010098

Formula

C₃₆H₆₉NO₄

Exact Mass

Calculate m/z

579.522659

Sum Composition

Cer 36:2;O3

Abbrev Chains

Cer 18:2;O2/18:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

FLDOHWSTFPNSFC-NDWAGTCRSA-N

InChi (Click to copy)

InChI=1S/C36H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,33-35,38-40H,3-19,21,23-27,29,31-32H2,1-2H3,(H,37,41)/b22-20-,30-28+/t33-,34+,35+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/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