CHEBI:135844 - selenium (75Se) tauroselcholic acid

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ChEBI Name selenium (75Se) tauroselcholic acid
ChEBI ID CHEBI:135844
Stars This entity has been manually annotated by a third party.
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Formula C26H45NO7S[75Se]
Net Charge 0
Average Mass 590.630
Monoisotopic Mass 590.21420
InChI InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i36-4
InChIKey JCMLWGQJPSGGEI-DJQDYNOGSA-N
SMILES O[C@H]1[C@]2([C@]3([C@@](C)([C@](CC3)([C@@H](C[75Se]CC(NCCS(=O)(=O)O)=O)C)[H])[C@H](C[C@@]2([C@@]4([C@](C1)(C[C@@H](CC4)O)[H])C)[H])O)[H])[H]
Roles Classification
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
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ChEBI Ontology
Outgoing selenium (75Se) tauroselcholic acid (CHEBI:135844) is a corticosteroid hormone (CHEBI:36699)
Manual Xref Database
4059 DrugCentral
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Registry Number Type Source
75018-70-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017