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CHEBI:232209 - isoleucinochenodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232209
ChEBI Nameisoleucinochenodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H51NO5
Net Charge0
Average Mass505.740
Monoisotopic Mass505.37672
SMILESCC[C@H](C)[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]3CC[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO5/c1-6-17(2)27(28(35)36)31-25(34)10-7-18(3)21-8-9-22-26-23(12-14-30(21,22)5)29(4)13-11-20(32)15-19(29)16-24(26)33/h17-24,26-27,32-33H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t17-,18+,19-,20+,21+,22-,23-,24+,26-,27-,29-,30+/m0/s1
InChIKeyRSENRUOYAHKCHG-OOTYSSKVSA-N
ChEBI Ontology
Outgoing Relation(s)
isoleucinochenodeoxycholic acid (CHEBI:232209) is a organic molecular entity (CHEBI:50860)