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CHEBI:137829 - hyocholic acid 6-O-(β-D-glucuronide)

ChEBI IDCHEBI:137829
ChEBI Namehyocholic acid 6-O-(β-D-glucuronide)
Stars
ASCII Namehyocholic acid 6-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid that is hyocholic acid having a single β-D-glucuronic acid residue attached at position 6.
Last Modified17 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@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C30H48O11/c1-13(4-7-19(32)33)15-5-6-16-20-17(9-11-29(15,16)2)30(3)10-8-14(31)12-18(30)25(21(20)34)40-28-24(37)22(35)23(36)26(41-28)27(38)39/h13-18,20-26,28,31,34-37H,4-12H2,1-3H3,(H,32,33)(H,38,39)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23+,24-,25-,26+,28-,29-,30-/m1/s1
InChIKeyXVNRNIWARCALGY-UAUNMXJXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23756265)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) has functional parent hyocholic acid (CHEBI:81244)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) has role human urinary metabolite (CHEBI:84087)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) is a dicarboxylic acid (CHEBI:35692)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) is a steroid glucosiduronic acid (CHEBI:26763)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) is a β-D-glucosiduronic acid (CHEBI:15341)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) is conjugate acid of hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906)
Incoming Relation(s)
hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906) is conjugate base of hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829)
IUPAC Name 
6α-(β-D-glucopyranuronosyloxy)-3α,7α-dihydroxy-5β-cholan-24-oic acid
Synonyms  Source
hyocholic acid 6-(β-D-glucuronide)ChEBI
HCA-6GChEBI
hyocholic acid 6-β-glucuronideChEBI
hyocholic acid 6-glucuronideChEBI
hyocholic acid 6-β-D-glucuronideChEBI
(3α,5β,6α,7α)-6-(β-D-glucopyranuronosyloxy)-3,7-dihydroxycholan-24-oic acidIUPAC
Citations