CHEBI:52022 - taurohyocholic acid

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ChEBI Name taurohyocholic acid ChEBI ID CHEBI:52022 Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H45NO7S Net Charge 0 Average Mass 515.70300 Monoisotopic Mass 515.29167 InChI InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m1/s1 InChIKey XSOLDPYUICCHJX-QZEPYOAJSA-N SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing taurohyocholic acid (CHEBI:52022) has functional parent cholic acid (CHEBI:16359) taurohyocholic acid (CHEBI:52022) is a 3α-hydroxy steroid (CHEBI:36835) taurohyocholic acid (CHEBI:52022) is a 6α-hydroxy steroid (CHEBI:36850) taurohyocholic acid (CHEBI:52022) is a 7α-hydroxy steroid (CHEBI:36843) taurohyocholic acid (CHEBI:52022) is a amino sulfonic acid (CHEBI:37793) taurohyocholic acid (CHEBI:52022) is conjugate acid of taurohyocholate (CHEBI:58874) Incoming taurohyocholate (CHEBI:58874) is conjugate base of taurohyocholic acid (CHEBI:52022) IUPAC Name 2-[(3α,6α,7α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid Synonyms Sources N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine KEGG COMPOUND Taurohyocholate KEGG COMPOUND Manual Xref Database C15516 KEGG COMPOUND View more database links Last Modified 28 July 2014