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CHEBI:232186 - prolinolithocholic acid

Default Structure
ChEBI IDCHEBI:232186
ChEBI Nameprolinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H47NO4
Net Charge0
Average Mass473.698
Monoisotopic Mass473.35051
SMILESC[C@H](CCC(=O)N1CCC[C@H]1C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C29H47NO4/c1-18(6-11-26(32)30-16-4-5-25(30)27(33)34)22-9-10-23-21-8-7-19-17-20(31)12-14-28(19,2)24(21)13-15-29(22,23)3/h18-25,31H,4-17H2,1-3H3,(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,25+,28+,29-/m1/s1
InChIKeyQGUADZRMEQLZHS-DVJLPHKYSA-N
ChEBI Ontology
Outgoing Relation(s)
prolinolithocholic acid (CHEBI:232186) is a organic molecular entity (CHEBI:50860)