CHEBI:232187 - methioninolithocholic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methioninolithocholic acid
ChEBI ID CHEBI:232187
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information ChemicalBook:CB23152557, eMolecules:2720067, ZINC000000062796
Download Molfile XML SDF
Formula C29H49NO4S
Net Charge 0
Average Mass 507.770
Monoisotopic Mass 507.33823
InChI InChI=1S/C29H49NO4S/c1-18(5-10-26(32)30-25(27(33)34)13-16-35-4)22-8-9-23-21-7-6-19-17-20(31)11-14-28(19,2)24(21)12-15-29(22,23)3/h18-25,31H,5-17H2,1-4H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,25+,28+,29-/m1/s1
InChIKey YYTBURSAOHOMHZ-DVJLPHKYSA-N
SMILES CSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
ChEBI Ontology
Outgoing methioninolithocholic acid (CHEBI:232187) is a organic molecular entity (CHEBI:50860)