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CHEBI:232189 - valinolithocholic acid

Default Structure
ChEBI IDCHEBI:232189
ChEBI Namevalinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H49NO4
Net Charge0
Average Mass475.714
Monoisotopic Mass475.36616
SMILESCC(C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChIInChI=1S/C29H49NO4/c1-17(2)26(27(33)34)30-25(32)11-6-18(3)22-9-10-23-21-8-7-19-16-20(31)12-14-28(19,4)24(21)13-15-29(22,23)5/h17-24,26,31H,6-16H2,1-5H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,26+,28+,29-/m1/s1
InChIKeyOFQHILGMYPWRGQ-JZLNZZGQSA-N
ChEBI Ontology
Outgoing Relation(s)
valinolithocholic acid (CHEBI:232189) is a organic molecular entity (CHEBI:50860)