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Term:(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl taurine
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Accession:CHEBI:136361 term browser browse the term
Definition:A cholestanoid obtained by formal condensation of the carboxy group of (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid with the amino group of taurine.
Synonyms:exact_synonym: 2-{[(25R)-3alpha,7alpha-dihydroxy-26-oxo-5beta-cholestan-26-yl]amino}ethane-1-sulfonic acid
 related_synonym: 2-{[(3alpha,5beta,7alpha,25R)-3,7-dihydroxy-26-oxocholestan-26-yl]amino}ethane-1-sulfonic acid;   Formula=C29H51NO6S;   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;   InChIKey=JPTLXYYSWLLUOV-KTWWJORASA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC[C@H](C(NCCS(O)(=O)=O)=O)C)C)[H])[H])C)[H])C
 xref: LIPID_MAPS_instance:LMST05040008 "LIPID MAPS";   PMID:27635669 "Europe PMC"

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  CHEBI ontology 19669
    role 19613
      chemical role 19128
        antioxidant 14048
          taurine 394
            (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl taurine 0
Path 2
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  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                monocarboxylic acid amide 13180
                                                  (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl taurine 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.