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CHEBI:232226 - tryptophanodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232226
ChEBI Nametryptophanodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC35H50N2O5
Net Charge0
Average Mass578.794
Monoisotopic Mass578.37197
SMILESC[C@H](CCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)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/C35H50N2O5/c1-20(8-13-32(40)37-30(33(41)42)16-21-19-36-29-7-5-4-6-24(21)29)26-11-12-27-25-10-9-22-17-23(38)14-15-34(22,2)28(25)18-31(39)35(26,27)3/h4-7,19-20,22-23,25-28,30-31,36,38-39H,8-18H2,1-3H3,(H,37,40)(H,41,42)/t20-,22-,23-,25+,26-,27+,28+,30+,31+,34+,35-/m1/s1
InChIKeyLXYFNICVBDMTSH-SFOVIOFSSA-N
ChEBI Ontology
Outgoing Relation(s)
tryptophanodeoxycholic acid (CHEBI:232226) is a organic molecular entity (CHEBI:50860)