CHEBI:232286 - tryptaminoursodeoxycholic acid

ChEBI IDCHEBI:232286
ChEBI Nametryptaminoursodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H50N2O3
Net Charge0
Average Mass534.785
Monoisotopic Mass534.38214
SMILESC[C@H](CCC(=O)NCCc1cnc2ccccc12)[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]3CC[C@]12C
InChIInChI=1S/C34H50N2O3/c1-21(8-11-31(39)35-17-14-22-20-36-29-7-5-4-6-25(22)29)26-9-10-27-32-28(13-16-34(26,27)3)33(2)15-12-24(37)18-23(33)19-30(32)38/h4-7,20-21,23-24,26-28,30,32,36-38H,8-19H2,1-3H3,(H,35,39)/t21-,23+,24-,26-,27+,28+,30+,32+,33+,34-/m1/s1
InChIKeyNAYSWSATYSRXLO-IRODCBRJSA-N
ChEBI Ontology
Outgoing Relation(s)
tryptaminoursodeoxycholic acid (CHEBI:232286) is a organic molecular entity (CHEBI:50860)