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CHEBI:89219 - 1b,3a,12a-Trihydroxy-5b-cholanoic acid

ChEBI IDCHEBI:89219
ChEBI Name1b,3a,12a-Trihydroxy-5b-cholanoic acid
Stars
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILESC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C
InChIInChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15+,16?,17?,18?,19?,20-,21+,23+,24-/m1/s1
InChIKeyDAKYVYUAVGJDRK-LFMRMFNLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (2621422)
blood (UBERON:0000178) PubMed (2621422)
ChEBI Ontology
Outgoing Relation(s)
1b,3a,12a-Trihydroxy-5b-cholanoic acid (CHEBI:89219) is a cholanoid (CHEBI:36078)
Synonyms  Source
(4R)-4-[(2S,3R,5S,15R,16S)-3,5,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acidHMDB
1,3,12-Trihydroxy-(5b)-Cholan-24-oateHMDB
1b,3a,12a-Trihydroxy-5b-cholan-24-oateHMDB
1,3,12-Trihydroxy-(5b)-Cholan-24-oic acidHMDB
1b,3a,12a-Trihydroxy-5b-cholanoateHMDB
1b,3a,12a-Trihydroxy-5b-cholan-24-oic acidHMDB
Manual XrefsDatabases
HMDB0000326HMDB
Registry NumbersSources
CAS:80434-32-8KEGG COMPOUND
Citations