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CHEBI:232190 - isoleucinolithocholic acid

Default Structure
ChEBI IDCHEBI:232190
ChEBI Nameisoleucinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H51NO4
Net Charge0
Average Mass489.741
Monoisotopic Mass489.38181
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]3CC[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO4/c1-6-18(2)27(28(34)35)31-26(33)12-7-19(3)23-10-11-24-22-9-8-20-17-21(32)13-15-29(20,4)25(22)14-16-30(23,24)5/h18-25,27,32H,6-17H2,1-5H3,(H,31,33)(H,34,35)/t18-,19+,20+,21+,22-,23+,24-,25-,27-,29-,30+/m0/s1
InChIKeyWBCYLXYPEVXXLN-NUJGGFAYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoleucinolithocholic acid (CHEBI:232190) is a organic molecular entity (CHEBI:50860)