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CHEBI:232216 - glutaminodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232216
ChEBI Nameglutaminodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H48N2O6
Net Charge0
Average Mass520.711
Monoisotopic Mass520.35124
SMILESC[C@H](CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[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
InChIInChI=1S/C29H48N2O6/c1-16(4-11-26(35)31-23(27(36)37)9-10-25(30)34)20-7-8-21-19-6-5-17-14-18(32)12-13-28(17,2)22(19)15-24(33)29(20,21)3/h16-24,32-33H,4-15H2,1-3H3,(H2,30,34)(H,31,35)(H,36,37)/t16-,17-,18-,19+,20-,21+,22+,23+,24+,28+,29-/m1/s1
InChIKeyFLXKZFGVFOVEJM-LWMJQZJZSA-N
ChEBI Ontology
Outgoing Relation(s)
glutaminodeoxycholic acid (CHEBI:232216) is a organic molecular entity (CHEBI:50860)