CHEBI:132030 - glycoursodeoxycholate

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ChEBI Name glycoursodeoxycholate ChEBI ID CHEBI:132030 Definition A N-acylglycinate that is the conjugate base of glycoursodeoxycholic acid. obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo 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 C26H42NO5 Net Charge -1 Average Mass 448.616 Monoisotopic Mass 448.30685 InChI InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1 InChIKey GHCZAUBVMUEKKP-XROMFQGDSA-M 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([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)[H])C ChEBI Ontology Outgoing glycoursodeoxycholate (CHEBI:132030) is a N-acylglycinate (CHEBI:57670) glycoursodeoxycholate (CHEBI:132030) is a cholanic acid conjugate anion (CHEBI:131879) glycoursodeoxycholate (CHEBI:132030) is conjugate base of glycoursodeoxycholic acid (CHEBI:89929) Incoming glycoursodeoxycholic acid (CHEBI:89929) is conjugate acid of glycoursodeoxycholate (CHEBI:132030) IUPAC Name N-(3α,7β-dihydroxy-5β-cholan-24-oyl)glycinate Synonyms Sources glycoursodeoxycholate UniProt N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycinate ChEBI N-ursodeoxycholoylglycinate ChEBI {[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate IUPAC Registry Number Type Source 4301713 Reaxys Registry Number Reaxys Citation Type Source 16332456 PubMed citation SUBMITTER Last Modified 13 March 2019