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Structure Database (LMSD)

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Common Name

GlcCer(t18:1(8Z)/22:0(2OH[S]))

Systematic Name

N-(2R-hydroxydocosanoyl)-1-β-glucosyl-4R-hydroxy-8Z-octadecasphingenine

Synonyms

1-O-glucopyranosyl-2-N-2'-hydroxydocosanoyl-4-hydroxy-8-sphingenine

LM ID

LMSP05010045

Formula

C₄₆H₈₉NO₁₀

Exact Mass

Calculate m/z

815.648649

Sum Composition

HexCer 40:1;O4

Abbrev Chains

GlcCer 18:1;O3/22:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

UPNWIBPHYOJXOA-QADWYTIRSA-N

InChi (Click to copy)

InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38+,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@@H](CCC/C=C\CCCCCCCCC)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Euphorbia nicaeensis (#1087772)

Magnoliopsida (#3398)

Preliminary biological assay on cerebroside mixture from Euphorbia nicaeensis All. Isolation and structure determination of five glucocerebrosides.,
Farmaco, 2003

Pubmed ID: 13679173