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Structure Database (LMSD)

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Common Name

GlcCer(d18:2(4E,8Z)/22:0(2OH[R]))

Systematic Name

N-(2R-hydroxydocosanoyl)-1-β-glucosyl-4E,8Z-octadecasphingadienine

Synonyms

1-O-glucopyranosyl-2-N-2'-hydroxydocosanoyl-4,8-sphingadienine

LM ID

LMSP05010055

Formula

C₄₆H₈₇NO₉

Exact Mass

Calculate m/z

797.638084

Sum Composition

HexCer 40:2;O3

Abbrev Chains

GlcCer 18:2;O2/22:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sauromatum giganteum (#227256)

Magnoliopsida (#3398)

Structure determination and synthesis of a new cerebroside isolated from the traditional Chinese medicine Typhonium giganteum Engl.,
Tetrahedron Letts, 2002

DOI: 10.1016/S0040-4039(02)00583-X

String Representations

InChiKey (Click to copy)

AARQIJVWMWVDNS-CTEZOQTISA-N

InChi (Click to copy)

InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h24,26,32,34,38-44,46,48-53H,3-23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b26-24-,34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/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)CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC