CHEBI:138391 - 7-oxoglycolithocholic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-oxoglycolithocholic acid
ChEBI ID CHEBI:138391
Definition A bile acid glycine conjugate that is glycolithocholic acid carrying an additional oxo substituent at postion 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H41NO5
Net Charge 0
Average Mass 447.608
Monoisotopic Mass 447.29847
InChI InChI=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
InChIKey MOZIKWXTNVWDAB-JPNWVCBHSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)[H])C
ChEBI Ontology
Outgoing 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 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 Sources
7-ketoglycolithocholic acid ChEBI
N-(3α-hydroxy-7-oxo-5β-cholan-24-oyl)glycine ChEBI
nutriaglycocholic acid ChEBI
{[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]amino}acetic acid ChEBI
Registry Numbers Types Sources
3180349 Reaxys Registry Number Reaxys
75808-00-3 CAS Registry Number ChemIDplus
Last Modified
06 September 2017