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CHEBI:58875 - hyodeoxycholate

ChEBI IDCHEBI:58875
ChEBI Namehyodeoxycholate
Stars
DefinitionA bile acid anion that is the conjugate base of hyodeoxycholic acid.
Last Modified11 November 2014
DownloadsMolfile
FormulaC24H39O4
Net Charge-1
Average Mass391.572
Monoisotopic Mass391.28538
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-]
InChIInChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKeyDGABKXLVXPYZII-SIBKNCMHSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (23752203)
Homo sapiens (ncbitaxon:9606) - PubMed (23756265)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
hyodeoxycholate (CHEBI:58875) has role human metabolite (CHEBI:77746)
hyodeoxycholate (CHEBI:58875) has role mouse metabolite (CHEBI:75771)
hyodeoxycholate (CHEBI:58875) is a bile acid anion (CHEBI:36235)
hyodeoxycholate (CHEBI:58875) is conjugate base of hyodeoxycholic acid (CHEBI:52023)
Incoming Relation(s)
taurohyodeoxycholate(1−) (CHEBI:191407) has functional parent hyodeoxycholate (CHEBI:58875)
hyodeoxycholic acid (CHEBI:52023) is conjugate acid of hyodeoxycholate (CHEBI:58875)
IUPAC Name 
3α,6α-dihydroxy-5β-cholan-24-oate
Synonym  Source
(3α,5β,6α)-3,6-dihydroxycholan-24-oateChEBI
UniProt Name  Source
hyodeoxycholateUniProt
Manual XrefsDatabases
CPD-7284MetaCyc
Registry NumbersSources
Beilstein:5619593Beilstein