LIPID MAPS

Structure Database (LMSD)

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Common Name

16:0-Glc-Cholesterol

Systematic Name

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

Synonyms

LM ID

LMST01010367

Formula

C₄₉H₈₆O₇

Exact Mass

Calculate m/z

786.637357

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)

YPMUZVRAVKLKGC-WGBVQUFMSA-N

InChi (Click to copy)

InChI=1S/C49H86O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-43(50)54-33-42-44(51)45(52)46(53)47(56-42)55-37-28-30-48(5)36(32-37)24-25-38-40-27-26-39(35(4)22-20-21-34(2)3)49(40,6)31-29-41(38)48/h24,34-35,37-42,44-47,51-53H,7-23,25-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,42-,44-,45+,46-,47-,48+,49-/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)(CCCCCCCCCCCCCCC)=O