7-oxoglycolithocholic acid
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http://purl.obolibrary.org/obo/CHEBI_138391
A bile acid glycine conjugate that is glycolithocholic acid carrying an additional oxo substituent at postion 7.
Term info
Label
7-oxoglycolithocholic acid
Synonyms
- N-[(3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl]glycine
Subsets
3_STAR
charge
0
formula
C26H41NO5
has obo namespace
chebi_ontology
has related synonym
nutriaglycocholic acid, {[(3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl]amino}acetic acid, 7-ketoglycolithocholic acid, N-(3alpha-hydroxy-7-oxo-5beta-cholan-24-oyl)glycine
id
CHEBI:138391
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
mass
447.608
monoisotopicmass
447.29847
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