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CHEBI:232223 - prolinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232223
ChEBI Nameprolinodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H47NO5
Net Charge0
Average Mass489.697
Monoisotopic Mass489.34542
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]3C[C@H](O)[C@]12C
InChIInChI=1S/C29H47NO5/c1-17(6-11-26(33)30-14-4-5-24(30)27(34)35)21-9-10-22-20-8-7-18-15-19(31)12-13-28(18,2)23(20)16-25(32)29(21,22)3/h17-25,31-32H,4-16H2,1-3H3,(H,34,35)/t17-,18-,19-,20+,21-,22+,23+,24+,25+,28+,29-/m1/s1
InChIKeyBHWXBRBFQBOUAF-LSFYHZGBSA-N
ChEBI Ontology
Outgoing Relation(s)
prolinodeoxycholic acid (CHEBI:232223) is a organic molecular entity (CHEBI:50860)