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CHEBI:232222 - tyrosinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232222
ChEBI Nametyrosinodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H49NO6
Net Charge0
Average Mass555.756
Monoisotopic Mass555.35599
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]3C[C@H](O)[C@]12C
InChIInChI=1S/C33H49NO6/c1-19(4-13-30(38)34-28(31(39)40)16-20-5-8-22(35)9-6-20)25-11-12-26-24-10-7-21-17-23(36)14-15-32(21,2)27(24)18-29(37)33(25,26)3/h5-6,8-9,19,21,23-29,35-37H,4,7,10-18H2,1-3H3,(H,34,38)(H,39,40)/t19-,21-,23-,24+,25-,26+,27+,28+,29+,32+,33-/m1/s1
InChIKeyNABZNAJLBCRTJM-LAYWWTAYSA-N
ChEBI Ontology
Outgoing Relation(s)
tyrosinodeoxycholic acid (CHEBI:232222) is a organic molecular entity (CHEBI:50860)