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CHEBI:232266 - tryptaminocholic acid

Default Structure
ChEBI IDCHEBI:232266
ChEBI Nametryptaminocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H50N2O4
Net Charge0
Average Mass550.784
Monoisotopic Mass550.37706
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]3C[C@H](O)[C@]12C
InChIInChI=1S/C34H50N2O4/c1-20(8-11-31(40)35-15-13-21-19-36-28-7-5-4-6-24(21)28)25-9-10-26-32-27(18-30(39)34(25,26)3)33(2)14-12-23(37)16-22(33)17-29(32)38/h4-7,19-20,22-23,25-27,29-30,32,36-39H,8-18H2,1-3H3,(H,35,40)/t20-,22+,23-,25-,26+,27+,29-,30+,32+,33+,34-/m1/s1
InChIKeySCTPNCMIQYWHOJ-LXCBOGQWSA-N
ChEBI Ontology
Outgoing Relation(s)
tryptaminocholic acid (CHEBI:232266) is a organic molecular entity (CHEBI:50860)