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CHEBI:232261 - methioninocholic acid

Default Structure
ChEBI IDCHEBI:232261
ChEBI Namemethioninocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H49NO6S
Net Charge0
Average Mass539.779
Monoisotopic Mass539.32806
SMILESCSCC[C@H](NC(=O)CC[C@@H](C)[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)C(=O)O
InChIInChI=1S/C29H49NO6S/c1-16(5-8-25(34)30-22(27(35)36)10-12-37-4)19-6-7-20-26-21(15-24(33)29(19,20)3)28(2)11-9-18(31)13-17(28)14-23(26)32/h16-24,26,31-33H,5-15H2,1-4H3,(H,30,34)(H,35,36)/t16-,17+,18-,19-,20+,21+,22+,23-,24+,26+,28+,29-/m1/s1
InChIKeyVNBNDOGLQFEJKP-KHUVAGFZSA-N
ChEBI Ontology
Outgoing Relation(s)
methioninocholic acid (CHEBI:232261) is a organic molecular entity (CHEBI:50860)