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CHEBI:173185 - (22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid

Default Structure
ChEBI IDCHEBI:173185
ChEBI Name(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILES[H][C@@]12CC=C3C[C@@H](O)C[C@H](O)[C@]3(C)[C@@]1([H])CC[C@]1(C)C([C@H](C)/C=C/C(=O)O)=CC[C@@]21[H]
InChIInChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/h4-5,7,9,14,16-17,19-21,25-26H,6,8,10-13H2,1-3H3,(H,27,28)/b9-4+/t14-,16-,17+,19+,20+,21+,23-,24+/m1/s1
InChIKeyQKMUYLAFPCTBBC-GYMAPVEQSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid (CHEBI:173185) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
(E,4R)-4-[(1S,3R,8S,9S,10R,13S,14S)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid
Manual XrefsDatabases
4447177ChemSpider
LMST04010342LIPID MAPS