CHEBI:232234 - 7-oxoglutaminolithocholic acid

ChEBI IDCHEBI:232234
ChEBI Name7-oxoglutaminolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H46N2O6
Net Charge0
Average Mass518.695
Monoisotopic Mass518.33559
SMILESC[C@H](CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C29H46N2O6/c1-16(4-9-25(35)31-22(27(36)37)7-8-24(30)34)19-5-6-20-26-21(11-13-29(19,20)3)28(2)12-10-18(32)14-17(28)15-23(26)33/h16-22,26,32H,4-15H2,1-3H3,(H2,30,34)(H,31,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22+,26+,28+,29-/m1/s1
InChIKeyVYHYDUGLDDGJNB-ATJRXRDRSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxoglutaminolithocholic acid (CHEBI:232234) is a organic molecular entity (CHEBI:50860)