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CHEBI:232188 - tryptophanolithocholic acid

Default Structure
ChEBI IDCHEBI:232188
ChEBI Nametryptophanolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC35H50N2O4
Net Charge0
Average Mass562.795
Monoisotopic Mass562.37706
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]3CC[C@]12C
InChIInChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1
InChIKeyITOFPJRDSCGOSA-KZLRUDJFSA-N
ChEBI Ontology
Outgoing Relation(s)
tryptophanolithocholic acid (CHEBI:232188) is a organic molecular entity (CHEBI:50860)