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CHEBI:232276 - gamma-aminobutyroursodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232276
ChEBI Namegamma-aminobutyroursodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H47NO5
Net Charge0
Average Mass477.686
Monoisotopic Mass477.34542
SMILESC[C@H](CCC(=O)NCCCC(=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]3CC[C@]12C
InChIInChI=1S/C28H47NO5/c1-17(6-9-24(32)29-14-4-5-25(33)34)20-7-8-21-26-22(11-13-28(20,21)3)27(2)12-10-19(30)15-18(27)16-23(26)31/h17-23,26,30-31H,4-16H2,1-3H3,(H,29,32)(H,33,34)/t17-,18+,19-,20-,21+,22+,23+,26+,27+,28-/m1/s1
InChIKeyLZRFVNURFRBKOU-FLHSUBHDSA-N
ChEBI Ontology
Outgoing Relation(s)
gamma-aminobutyroursodeoxycholic acid (CHEBI:232276) is a organic molecular entity (CHEBI:50860)