LIPID MAPS

Structure Database (LMSD)

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Systematic Name

(25R)-1β,3α,7α-trihydroxy-5β-cholestan-27-oyl taurine

Synonyms

LM ID

LMST05040006

Formula

C₂₉H₅₁NO₇S

Exact Mass

Calculate m/z

557.338626

Sum Composition

ST 27:1;O4;Tau

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rhynchotus rufescens (#30466)

Aves (#8782)

A new, major C27 biliary bile acid in the red-winged tinamou (Rhynchotus rufescens):25R-1beta, 3alpha,7alpha-trihydroxy-5beta-cholestan-27-oic acid.,
J Lipid Res, 2009

Pubmed ID: 19011113

DOI: 10.1194/jlr.M800521-JLR200

String Representations

InChiKey (Click to copy)

GEKBRICZVLQPMG-ASQAXTEZSA-N

InChi (Click to copy)

InChI=1S/C29H51NO7S/c1-17(6-5-7-18(2)27(34)30-12-13-38(35,36)37)21-8-9-22-26-23(10-11-28(21,22)3)29(4)19(15-24(26)32)14-20(31)16-25(29)33/h17-26,31-33H,5-16H2,1-4H3,(H,30,34)(H,35,36,37)/t17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,28-,29+/m1/s1

SMILES (Click to copy)

[C@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@]([H])(C)C(=O)NCCS(O)(=O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1