CHEBI:17179 - taurolithocholate

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ChEBI Name taurolithocholate
ChEBI ID CHEBI:17179
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15199, CHEBI:26857
Supplier Information No supplier information found for this compound.
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Formula C26H44NO5S
Net Charge -1
Average Mass 482.69730
Monoisotopic Mass 482.29457
InChI InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
InChIKey QBYUNVOYXHFVKC-GBURMNQMSA-M
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing taurolithocholate (CHEBI:17179) has role human metabolite (CHEBI:77746)
taurolithocholate (CHEBI:17179) is a cholanic acid conjugate anion (CHEBI:131879)
taurolithocholate (CHEBI:17179) is conjugate base of taurolithocholic acid (CHEBI:36259)
Incoming taurolithocholic acid (CHEBI:36259) is conjugate acid of taurolithocholate (CHEBI:17179)
IUPAC Name
2-[(3α-hydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonate
Synonym Source
taurolithocholate UniProt
Manual Xref Database
C02592 KEGG COMPOUND
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Last Modified
18 August 2016