LIPID MAPS

Structure Database (LMSD)

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Common Name

24S-hydroxycholesterol 3-sulfate, 24-D-glucuronide

Systematic Name

(24S)-cholest-5-en-3β,24-diol 3-sulfate 24-D-glucuronide

Synonyms

LM ID

LMST05010068

Formula

C₃₃H₅₄O₁₁S

Exact Mass

Calculate m/z

658.338687

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

High levels of (24S)-24-hydroxycholesterol 3-sulfate, 24-glucuronide in the serum and urine of children with severe cholestatic liver disease.,
J Lipid Res, 1997

Pubmed ID: 9186910

String Representations

InChiKey (Click to copy)

RMEKFAACNREZBO-VECYOLTKSA-N

InChi (Click to copy)

InChI=1S/C33H54O11S/c1-17(2)25(42-31-28(36)26(34)27(35)29(43-31)30(37)38)11-6-18(3)22-9-10-23-21-8-7-19-16-20(44-45(39,40)41)12-14-32(19,4)24(21)13-15-33(22,23)5/h7,17-18,20-29,31,34-36H,6,8-16H2,1-5H3,(H,37,38)(H,39,40,41)/t18-,20+,21+,22-,23+,24+,25+,26+,27+,28-,29+,31-,32+,33-/m1/s1

SMILES (Click to copy)

[C@]12([C@]([H])(CC[C@]3(C)[C@@]([H])([C@@H](CC[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)C(C)C)C)CC[C@@]13[H])[C@@]1(C)CC[C@@H](CC1=CC2)OS(O)(=O)=O)[H]