LIPID MAPS

Structure Database (LMSD)

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Common Name

12:0-Glc-Cholesterol

Systematic Name

3-O-(6'-O-dodecanoyl-α-D-glucopyranosyl)-cholest-5-en-3β-ol

Synonyms

LM ID

LMST01010399

Formula

C₄₅H₇₈O₇

Exact Mass

Calculate m/z

730.574755

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Helicobacter rappini (#95150)

Epsilonproteobacteria (#3031852)

Lipid profile of Helicobacter spp.: presence of cholesteryl glucoside as a characteristic feature.,
J Bacteriol, 1996

Pubmed ID: 8606185

DOI: 10.1128/jb.178.7.2065-2070.1996

String Representations

InChiKey (Click to copy)

ZYKBJURXSSJNSZ-SYZKLSEPSA-N

InChi (Click to copy)

InChI=1S/C45H78O7/c1-7-8-9-10-11-12-13-14-15-19-39(46)50-29-38-40(47)41(48)42(49)43(52-38)51-33-24-26-44(5)32(28-33)20-21-34-36-23-22-35(31(4)18-16-17-30(2)3)45(36,6)27-25-37(34)44/h20,30-31,33-38,40-43,47-49H,7-19,21-29H2,1-6H3/t31-,33+,34+,35-,36+,37+,38-,40-,41+,42-,43+,44+,45-/m1/s1

SMILES (Click to copy)

C1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCCC)O2)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@]([H])(CCCC(C)C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1