Terminology Service for NFDI4Health

7-oxoglycolithocholic acid

Go to external page 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
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl]glycine [ IUPAC ]

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