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CHEBI:232242 - 7-oxoprolinolithocholic acid

Default Structure
ChEBI IDCHEBI:232242
ChEBI Name7-oxoprolinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H45NO5
Net Charge0
Average Mass487.681
Monoisotopic Mass487.32977
SMILESC[C@H](CCC(=O)N1CCC[C@H]1C(=O)O)[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
InChIInChI=1S/C29H45NO5/c1-17(6-9-25(33)30-14-4-5-23(30)27(34)35)20-7-8-21-26-22(11-13-29(20,21)3)28(2)12-10-19(31)15-18(28)16-24(26)32/h17-23,26,31H,4-16H2,1-3H3,(H,34,35)/t17-,18+,19-,20-,21+,22+,23+,26+,28+,29-/m1/s1
InChIKeyKGODYQZOSPGQFI-GSHNJGPQSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxoprolinolithocholic acid (CHEBI:232242) is a organic molecular entity (CHEBI:50860)