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CHEBI:138391 - 7-oxoglycolithocholic acid

ChEBI IDCHEBI:138391
ChEBI Name7-oxoglycolithocholic acid
Stars
DefinitionA bile acid glycine conjugate that is glycolithocholic acid carrying an additional oxo substituent at postion 7.
Last Modified6 September 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H41NO5
Net Charge0
Average Mass447.616
Monoisotopic Mass447.29847
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)/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1
InChIKeyMOZIKWXTNVWDAB-JPNWVCBHSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxoglycolithocholic acid (CHEBI:138391) has functional parent glycolithocholic acid (CHEBI:37998)
7-oxoglycolithocholic acid (CHEBI:138391) is a 3α-hydroxy steroid (CHEBI:36835)
7-oxoglycolithocholic acid (CHEBI:138391) is a 7-oxo steroid (CHEBI:47789)
7-oxoglycolithocholic acid (CHEBI:138391) is a bile acid glycine conjugate (CHEBI:36255)
7-oxoglycolithocholic acid (CHEBI:138391) is conjugate acid of 7-oxoglycolithocholate (CHEBI:137818)
Incoming Relation(s)
7-oxoglycolithocholate (CHEBI:137818) is conjugate base of 7-oxoglycolithocholic acid (CHEBI:138391)
IUPAC Name 
N-[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]glycine
Synonyms  Source
7-ketoglycolithocholic acidChEBI
nutriaglycocholic acidChEBI
{[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]amino}acetic acidChEBI
N-(3α-hydroxy-7-oxo-5β-cholan-24-oyl)glycineChEBI
Registry NumbersSources
Reaxys:3180349Reaxys
CAS:75808-00-3ChemIDplus