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CHEBI:232224 - methioninodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232224
ChEBI Namemethioninodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H49NO5S
Net Charge0
Average Mass523.780
Monoisotopic Mass523.33314
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]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C29H49NO5S/c1-17(5-10-26(33)30-24(27(34)35)12-14-36-4)21-8-9-22-20-7-6-18-15-19(31)11-13-28(18,2)23(20)16-25(32)29(21,22)3/h17-25,31-32H,5-16H2,1-4H3,(H,30,33)(H,34,35)/t17-,18-,19-,20+,21-,22+,23+,24+,25+,28+,29-/m1/s1
InChIKeyLKUHGQIXJRDHNR-LSFYHZGBSA-N
ChEBI Ontology
Outgoing Relation(s)
methioninodeoxycholic acid (CHEBI:232224) is a organic molecular entity (CHEBI:50860)