EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232220 - threonylodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232220
ChEBI Namethreonylodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H47NO6
Net Charge0
Average Mass493.685
Monoisotopic Mass493.34034
SMILESC[C@H](CCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C28H47NO6/c1-15(5-10-24(33)29-25(16(2)30)26(34)35)20-8-9-21-19-7-6-17-13-18(31)11-12-27(17,3)22(19)14-23(32)28(20,21)4/h15-23,25,30-32H,5-14H2,1-4H3,(H,29,33)(H,34,35)/t15-,16-,17-,18-,19+,20-,21+,22+,23+,25+,27+,28-/m1/s1
InChIKeyILNZVSWWWDJWPL-WOWSLBROSA-N
ChEBI Ontology
Outgoing Relation(s)
threonylodeoxycholic acid (CHEBI:232220) is a organic molecular entity (CHEBI:50860)