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CHEBI:232260 - prolinocholic acid

Default Structure
ChEBI IDCHEBI:232260
ChEBI Nameprolinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H47NO6
Net Charge0
Average Mass505.696
Monoisotopic Mass505.34034
SMILESC[C@H](CCC(=O)N1CCC[C@H]1C(=O)O)[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
InChIInChI=1S/C29H47NO6/c1-16(6-9-25(34)30-12-4-5-22(30)27(35)36)19-7-8-20-26-21(15-24(33)29(19,20)3)28(2)11-10-18(31)13-17(28)14-23(26)32/h16-24,26,31-33H,4-15H2,1-3H3,(H,35,36)/t16-,17+,18-,19-,20+,21+,22+,23-,24+,26+,28+,29-/m1/s1
InChIKeyJFAHLVMHOMALOB-KHUVAGFZSA-N
ChEBI Ontology
Outgoing Relation(s)
prolinocholic acid (CHEBI:232260) is a organic molecular entity (CHEBI:50860)