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CHEBI:232182 - threoninolithocholic acid

Default Structure
ChEBI IDCHEBI:232182
ChEBI Namethreoninolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H47NO5
Net Charge0
Average Mass477.686
Monoisotopic Mass477.34542
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]3CC[C@]12C
InChIInChI=1S/C28H47NO5/c1-16(5-10-24(32)29-25(17(2)30)26(33)34)21-8-9-22-20-7-6-18-15-19(31)11-13-27(18,3)23(20)12-14-28(21,22)4/h16-23,25,30-31H,5-15H2,1-4H3,(H,29,32)(H,33,34)/t16-,17-,18-,19-,20+,21-,22+,23+,25+,27+,28-/m1/s1
InChIKeyMHJQSAPLKWHUOJ-CRCBDNHOSA-N
ChEBI Ontology
Outgoing Relation(s)
threoninolithocholic acid (CHEBI:232182) is a organic molecular entity (CHEBI:50860)