LIPID MAPS

Structure Database (LMSD)

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Common Name

18:0-Glc-Cholesterol

Systematic Name

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

Synonyms

LM ID

LMST01010368

Formula

C₅₁H₉₀O₇

Exact Mass

Calculate m/z

814.668657

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pituophis catenifer sayi (#94858)

Lepidosauria (#8504)

Glucosylsterol and acylglucosylsterol of snake epidermis: structure determination.,
J Lipid Res, 1987

Pubmed ID: 3585177

String Representations

InChiKey (Click to copy)

XSCMDIQMJDGQHD-XPCJMSQCSA-N

InChi (Click to copy)

InChI=1S/C51H90O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-45(52)56-35-44-46(53)47(54)48(55)49(58-44)57-39-30-32-50(5)38(34-39)26-27-40-42-29-28-41(37(4)24-22-23-36(2)3)51(42,6)33-31-43(40)50/h26,36-37,39-44,46-49,53-55H,7-25,27-35H2,1-6H3/t37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1

SMILES (Click to copy)

C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2CC3=CC[C@@]4([H])[C@]5([H])CC[C@]([H])([C@@]([H])(CCCC(C)C)C)[C@@]5(C)CC[C@]4([H])[C@@]3(C)CC2)O1)(CCCCCCCCCCCCCCCCC)=O