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CHEBI:137818 - 7-oxoglycolithocholate

Default Structure
ChEBI IDCHEBI:137818
ChEBI Name7-oxoglycolithocholate
Stars
DefinitionA cholanic acid conjugate anion that is the conjugate base of 7-oxoglycolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 August 2020
Submitternhn
DownloadsMolfile
FormulaC26H40NO5
Net Charge-1
Average Mass446.608
Monoisotopic Mass446.29120
SMILES[H][C@]12CC(=O)[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C26H41NO5/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/h15-20,24,28H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1
InChIKeyMOZIKWXTNVWDAB-JPNWVCBHSA-M
ChEBI Ontology
Outgoing Relation(s)
7-oxoglycolithocholate (CHEBI:137818) is a N-acylglycinate (CHEBI:57670)
7-oxoglycolithocholate (CHEBI:137818) is a cholanic acid conjugate anion (CHEBI:131879)
7-oxoglycolithocholate (CHEBI:137818) is conjugate base of 7-oxoglycolithocholic acid (CHEBI:138391)
Incoming Relation(s)
7-oxoglycolithocholic acid (CHEBI:138391) is conjugate acid of 7-oxoglycolithocholate (CHEBI:137818)
IUPAC Name 
{[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]amino}acetate
Synonym  Source
N-(3α-hydroxy-7-oxo-5β-cholan-24-oyl)glycinateSUBMITTER
UniProt Name  Source
7-oxoglycolithocholateUniProt
Citations