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CHEBI:232187 - methioninolithocholic acid

Default Structure
ChEBI IDCHEBI:232187
ChEBI Namemethioninolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H49NO4S
Net Charge0
Average Mass507.781
Monoisotopic Mass507.33823
SMILESCSCC[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
InChIInChI=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
InChIKeyYYTBURSAOHOMHZ-DVJLPHKYSA-N
ChEBI Ontology
Outgoing Relation(s)
methioninolithocholic acid (CHEBI:232187) is a organic molecular entity (CHEBI:50860)