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CHEBI:232262 - valinocholic acid

Default Structure
ChEBI IDCHEBI:232262
ChEBI Namevalinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H49NO6
Net Charge0
Average Mass507.712
Monoisotopic Mass507.35599
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]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C29H49NO6/c1-15(2)26(27(35)36)30-24(34)9-6-16(3)19-7-8-20-25-21(14-23(33)29(19,20)5)28(4)11-10-18(31)12-17(28)13-22(25)32/h15-23,25-26,31-33H,6-14H2,1-5H3,(H,30,34)(H,35,36)/t16-,17+,18-,19-,20+,21+,22-,23+,25+,26+,28+,29-/m1/s1
InChIKeyWVFDPCYTNIXGHI-MWZFBFEJSA-N
ChEBI Ontology
Outgoing Relation(s)
valinocholic acid (CHEBI:232262) is a organic molecular entity (CHEBI:50860)