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CHEBI:232256 - threoninocholic acid

Default Structure
ChEBI IDCHEBI:232256
ChEBI Namethreoninocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H47NO7
Net Charge0
Average Mass509.684
Monoisotopic Mass509.33525
SMILESC[C@H](CCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C28H47NO7/c1-14(5-8-23(34)29-25(15(2)30)26(35)36)18-6-7-19-24-20(13-22(33)28(18,19)4)27(3)10-9-17(31)11-16(27)12-21(24)32/h14-22,24-25,30-33H,5-13H2,1-4H3,(H,29,34)(H,35,36)/t14-,15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,27+,28-/m1/s1
InChIKeyWRLSMXLTDIMCNI-USDOIDPGSA-N
ChEBI Ontology
Outgoing Relation(s)
threoninocholic acid (CHEBI:232256) is a organic molecular entity (CHEBI:50860)