LIPID MAPS

Structure Database (LMSD)

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Systematic Name

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

Synonyms

LM ID

LMST05040008

Formula

C₂₉H₅₁NO₆S

Exact Mass

Calculate m/z

541.34371

Sum Composition

ST 27:1;O3;Tau

Status

Curated

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)

JPTLXYYSWLLUOV-KTWWJORASA-N

InChi (Click to copy)

InChI=1S/C29H51NO6S/c1-18(6-5-7-19(2)27(33)30-14-15-37(34,35)36)22-8-9-23-26-24(11-13-29(22,23)4)28(3)12-10-21(31)16-20(28)17-25(26)32/h18-26,31-32H,5-17H2,1-4H3,(H,30,33)(H,34,35,36)/t18-,19-,20+,21-,22-,23+,24+,25-,26+,28+,29-/m1/s1

SMILES (Click to copy)

C1[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