CHEBI:232207 - valinochenodeoxycholic acid

ChEBI IDCHEBI:232207
ChEBI Namevalinochenodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H49NO5
Net Charge0
Average Mass491.713
Monoisotopic Mass491.36107
SMILESCC(C)[C@H](NC(=O)CC[C@@H](C)[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]3CC[C@]12C)C(=O)O
InChIInChI=1S/C29H49NO5/c1-16(2)26(27(34)35)30-24(33)9-6-17(3)20-7-8-21-25-22(11-13-29(20,21)5)28(4)12-10-19(31)14-18(28)15-23(25)32/h16-23,25-26,31-32H,6-15H2,1-5H3,(H,30,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,25+,26+,28+,29-/m1/s1
InChIKeyDWKUILAFNXKAFN-VBPAPOGFSA-N
ChEBI Ontology
Outgoing Relation(s)
valinochenodeoxycholic acid (CHEBI:232207) is a organic molecular entity (CHEBI:50860)