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CHEBI:232252 - glutaminocholic acid

Default Structure
ChEBI IDCHEBI:232252
ChEBI Nameglutaminocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H48N2O7
Net Charge0
Average Mass536.710
Monoisotopic Mass536.34615
SMILESC[C@H](CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[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
InChIInChI=1S/C29H48N2O7/c1-15(4-9-25(36)31-21(27(37)38)7-8-24(30)35)18-5-6-19-26-20(14-23(34)29(18,19)3)28(2)11-10-17(32)12-16(28)13-22(26)33/h15-23,26,32-34H,4-14H2,1-3H3,(H2,30,35)(H,31,36)(H,37,38)/t15-,16+,17-,18-,19+,20+,21+,22-,23+,26+,28+,29-/m1/s1
InChIKeyCNGHUSPOYWEVTQ-OWWNDVJESA-N
ChEBI Ontology
Outgoing Relation(s)
glutaminocholic acid (CHEBI:232252) is a organic molecular entity (CHEBI:50860)