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CHEBI:232243 - 7-oxomethioninolithocholic acid

Default Structure
ChEBI IDCHEBI:232243
ChEBI Name7-oxomethioninolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H47NO5S
Net Charge0
Average Mass521.764
Monoisotopic Mass521.31749
SMILESCSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChIInChI=1S/C29H47NO5S/c1-17(5-8-25(33)30-23(27(34)35)11-14-36-4)20-6-7-21-26-22(10-13-29(20,21)3)28(2)12-9-19(31)15-18(28)16-24(26)32/h17-23,26,31H,5-16H2,1-4H3,(H,30,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23+,26+,28+,29-/m1/s1
InChIKeyPBUPUCHVLQPSLF-GSHNJGPQSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxomethioninolithocholic acid (CHEBI:232243) is a organic molecular entity (CHEBI:50860)