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CHEBI:232227 - isoleucinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232227
ChEBI Nameisoleucinodeoxycholic 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]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO5/c1-6-17(2)27(28(35)36)31-26(34)12-7-18(3)22-10-11-23-21-9-8-19-15-20(32)13-14-29(19,4)24(21)16-25(33)30(22,23)5/h17-25,27,32-33H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t17-,18+,19+,20+,21-,22+,23-,24-,25-,27-,29-,30+/m0/s1
InChIKeyQTMPUVRWTSAYOC-RBACLHALSA-N
ChEBI Ontology
Outgoing Relation(s)
isoleucinodeoxycholic acid (CHEBI:232227) is a organic molecular entity (CHEBI:50860)