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CHEBI:232184 - tyrosinolithocholic acid

Default Structure
ChEBI IDCHEBI:232184
ChEBI Nametyrosinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H49NO5
Net Charge0
Average Mass539.757
Monoisotopic Mass539.36107
SMILESC[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)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/C33H49NO5/c1-20(4-13-30(37)34-29(31(38)39)18-21-5-8-23(35)9-6-21)26-11-12-27-25-10-7-22-19-24(36)14-16-32(22,2)28(25)15-17-33(26,27)3/h5-6,8-9,20,22,24-29,35-36H,4,7,10-19H2,1-3H3,(H,34,37)(H,38,39)/t20-,22-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
InChIKeyUBXDBQFPMMALSJ-WYSXDVQQSA-N
ChEBI Ontology
Outgoing Relation(s)
tyrosinolithocholic acid (CHEBI:232184) is a organic molecular entity (CHEBI:50860)