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CHEBI:177282 - 5b-Cyprinol sulfate

ChEBI IDCHEBI:177282
ChEBI Name5b-Cyprinol sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O8S
Net Charge0
Average Mass532.740
Monoisotopic Mass532.30699
SMILESCC(CCCC(CO)COS(=O)(=O)O)C1CCC2C3C(O)CC4C[C@H](O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
InChIInChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20?,21?,22?,23?,24-,25?,26+,27-/m1/s1
InChIKeyKAOLEMQCYWHOJQ-JINGCIQESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) Article Strain: C57BL/6J [EFO:0000606]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5b-Cyprinol sulfate (CHEBI:177282) is a bile acid (CHEBI:3098)
IUPAC Name 
[2-(hydroxymethyl)-6-[(3R,7R,10S,12R,13R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulate
Manual XrefsDatabases
C05468KEGG COMPOUND
HMDB0006888HMDB