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CHEBI:232247 - 7-oxoleucinolithocholic acid

Default Structure
ChEBI IDCHEBI:232247
ChEBI Name7-oxoleucinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H49NO5
Net Charge0
Average Mass503.724
Monoisotopic Mass503.36107
SMILESCC(C)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/c1-17(2)14-24(28(35)36)31-26(34)9-6-18(3)21-7-8-22-27-23(11-13-30(21,22)5)29(4)12-10-20(32)15-19(29)16-25(27)33/h17-24,27,32H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t18-,19+,20-,21-,22+,23+,24+,27+,29+,30-/m1/s1
InChIKeyNNVDDEOLRYWJHX-PYOQXWFLSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxoleucinolithocholic acid (CHEBI:232247) is a organic molecular entity (CHEBI:50860)