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CHEBI:232259 - tyrosinocholic acid

Default Structure
ChEBI IDCHEBI:232259
ChEBI Nametyrosinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H49NO7
Net Charge0
Average Mass571.755
Monoisotopic Mass571.35090
SMILESC[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)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/C33H49NO7/c1-18(4-11-29(39)34-26(31(40)41)14-19-5-7-21(35)8-6-19)23-9-10-24-30-25(17-28(38)33(23,24)3)32(2)13-12-22(36)15-20(32)16-27(30)37/h5-8,18,20,22-28,30,35-38H,4,9-17H2,1-3H3,(H,34,39)(H,40,41)/t18-,20+,22-,23-,24+,25+,26+,27-,28+,30+,32+,33-/m1/s1
InChIKeyUTTBUMIEHWNKLK-GRMAFNFHSA-N
ChEBI Ontology
Outgoing Relation(s)
tyrosinocholic acid (CHEBI:232259) is a organic molecular entity (CHEBI:50860)