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CHEBI:232246 - 7-oxoisoleucinolithocholic acid

Default Structure
ChEBI IDCHEBI:232246
ChEBI Name7-oxoisoleucinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H49NO5
Net Charge0
Average Mass503.724
Monoisotopic Mass503.36107
SMILESCC[C@H](C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChIInChI=1S/C30H49NO5/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/h17-23,26-27,32H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t17-,18+,19-,20+,21+,22-,23-,26-,27-,29-,30+/m0/s1
InChIKeyBIINYZJRFXUUNZ-PGDYYOIBSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxoisoleucinolithocholic acid (CHEBI:232246) is a organic molecular entity (CHEBI:50860)