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CHEBI:232264 - isoleucinocholic acid

Default Structure
ChEBI IDCHEBI:232264
ChEBI Nameisoleucinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H51NO6
Net Charge0
Average Mass521.739
Monoisotopic Mass521.37164
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]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO6/c1-6-16(2)27(28(36)37)31-25(35)10-7-17(3)20-8-9-21-26-22(15-24(34)30(20,21)5)29(4)12-11-19(32)13-18(29)14-23(26)33/h16-24,26-27,32-34H,6-15H2,1-5H3,(H,31,35)(H,36,37)/t16-,17+,18-,19+,20+,21-,22-,23+,24-,26-,27-,29-,30+/m0/s1
InChIKeyFEXHCONWLZMXHC-FQJHJMTISA-N
ChEBI Ontology
Outgoing Relation(s)
isoleucinocholic acid (CHEBI:232264) is a organic molecular entity (CHEBI:50860)