CHEBI:232177 - glutaminolithocholic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name glutaminolithocholic acid
ChEBI ID CHEBI:232177
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information ChemicalBook:CB23152557, eMolecules:2720067, ZINC000000062796
Download Molfile XML SDF
Formula C29H48N2O5
Net Charge 0
Average Mass 504.712
Monoisotopic Mass 504.35632
InChI InChI=1S/C29H48N2O5/c1-17(4-11-26(34)31-24(27(35)36)9-10-25(30)33)21-7-8-22-20-6-5-18-16-19(32)12-14-28(18,2)23(20)13-15-29(21,22)3/h17-24,32H,4-16H2,1-3H3,(H2,30,33)(H,31,34)(H,35,36)/t17-,18-,19-,20+,21-,22+,23+,24+,28+,29-/m1/s1
InChIKey VPZATESDAQJEKC-QIXZANHSSA-N
SMILES C[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]3CC[C@]12C
ChEBI Ontology
Outgoing glutaminolithocholic acid (CHEBI:232177) is a organic molecular entity (CHEBI:50860)