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CHEBI:232225 - valinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232225
ChEBI Namevalinodeoxycholic 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]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C29H49NO5/c1-16(2)26(27(34)35)30-25(33)11-6-17(3)21-9-10-22-20-8-7-18-14-19(31)12-13-28(18,4)23(20)15-24(32)29(21,22)5/h16-24,26,31-32H,6-15H2,1-5H3,(H,30,33)(H,34,35)/t17-,18-,19-,20+,21-,22+,23+,24+,26+,28+,29-/m1/s1
InChIKeyRVPFAKQTPDHESL-HJVIEKMASA-N
ChEBI Ontology
Outgoing Relation(s)
valinodeoxycholic acid (CHEBI:232225) is a organic molecular entity (CHEBI:50860)