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CHEBI:137812 - hyodeoxycholic acid 24-O-(β-D-glucuronide)

ChEBI IDCHEBI:137812
ChEBI Namehyodeoxycholic acid 24-O-(β-D-glucuronide)
Stars
ASCII Namehyodeoxycholic acid 24-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid obtained by formal condensation of the carboxy group of hyodeoxycholic acid with the anomeric hydroxy group of β-D-glucuronic acid.
Last Modified12 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC30H48O10
Net Charge0
Average Mass568.704
Monoisotopic Mass568.32475
SMILES[H][C@@]12C[C@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C30H48O10/c1-14(4-7-22(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-16-13-21(32)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1
InChIKeyGSKDKHGYQRRKMF-HHUAQUJWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (23756265)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) has functional parent hyodeoxycholic acid (CHEBI:52023)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) has role human urinary metabolite (CHEBI:84087)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) is a O-acyl carbohydrate (CHEBI:52782)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) is a steroid glucosiduronic acid (CHEBI:26763)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) is a β-D-glucosiduronic acid (CHEBI:15341)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) is conjugate acid of hyodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136903)
Incoming Relation(s)
hyodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136903) is conjugate base of hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812)
IUPAC Name 
1-O-(3α,6α-dihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid
Synonyms  Source
hyodeoxycholic acid 24-β-glucuronideChEBI
hyodeoxycholic acid 24-(β-D-glucuronide)ChEBI
hyodeoxycholic acid 24-O-(β-D-glucuronic acid)ChEBI
hyodeoxycholic acid 24-β-D-glucuronideChEBI
HDCA-24GChEBI
hyodeoxycholic acid 24-glucuronideChEBI
Citations