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CHEBI:137817 - hyocholic acid 24-O-(β-D-glucuronide)

ChEBI IDCHEBI:137817
ChEBI Namehyocholic acid 24-O-(β-D-glucuronide)
Stars
ASCII Namehyocholic acid 24-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid obtained by formal condensation of the carboxy group of hyocholic acid with the anomeric hydroxy group of β-D-glucuronic acid.
Last Modified12 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC30H48O11
Net Charge0
Average Mass584.703
Monoisotopic Mass584.31966
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C30H48O11/c1-13(4-7-19(32)40-28-25(37)23(35)24(36)26(41-28)27(38)39)15-5-6-16-20-17(9-11-29(15,16)2)30(3)10-8-14(31)12-18(30)21(33)22(20)34/h13-18,20-26,28,31,33-37H,4-12H2,1-3H3,(H,38,39)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23+,24+,25-,26+,28-,29-,30-/m1/s1
InChIKeyXPBXRQXFXJGCIA-RAJUUOCTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (21255593)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) has functional parent hyocholic acid (CHEBI:81244)
hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) has role human urinary metabolite (CHEBI:84087)
hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) is a O-acyl carbohydrate (CHEBI:52782)
hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) is a steroid glucosiduronic acid (CHEBI:26763)
hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) is a β-D-glucosiduronic acid (CHEBI:15341)
hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) is conjugate acid of hyocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136904)
Incoming Relation(s)
hyocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136904) is conjugate base of hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817)
IUPAC Name 
1-O-(3α,6α,7α-trihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid
Synonyms  Source
hyocholic acid 24-glucuronideChEBI
1-O-[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acidIUPAC
hyocholic acid 24-(β-D-glucuronide)ChEBI
HCA-24GChEBI
hyocholic acid 24-β-D-glucuronideChEBI
hyocholic acid 24-β-glucuronideChEBI
Citations