LIPID MAPS

Structure Database (LMSD)

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Common Name

GlcCer(d18:2(4E,8Z)/16:0(2OH[S]))

Systematic Name

N-(2R-hydroxyhexadecanoyl)-1-β-glucosyl-4E,8Z-sphingadienine

Synonyms

GlcCer(d18:2(4E,8Z)/16:0(2OH[S]))
1-O-beta-D-glucopyranosyl-(2S,3R,4E,8Z)-2-[(2R)-2-hydroxyhexadecanoylamino]-4,8-octadecadiene-1,3-diol

LM ID

LMSP05010087

Formula

C₄₀H₇₅NO₉

Exact Mass

Calculate m/z

713.544184

Sum Composition

HexCer 34:2;O3

Abbrev Chains

GlcCer 18:2;O2/16:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Prunus dulcis (#3755)

Magnoliopsida (#3398)

Sphingolipid and other constituents from almond nuts (Prunus amygdalus Batsch).,
J Agric Food Chem, 2002

Pubmed ID: 12137501

String Representations

InChiKey (Click to copy)

HOMYIYLRRDTKAA-GMZRZXGTSA-N

InChi (Click to copy)

InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34-,35+,36+,37-,38+,40+/m0/s1

SMILES (Click to copy)

[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC([C@@H](O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC