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CHEBI:232567 - glyco-alpha-muricholic acid

ChEBI IDCHEBI:232567
ChEBI Nameglyco-alpha-muricholic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC26H43NO6
Net Charge0
Average Mass465.631
Monoisotopic Mass465.30904
SMILES[H][C@@]12CC[C@]([H])([C@@H](C)CCC(=O)NCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14?,15-,16-,17+,18+,19+,22+,23+,24+,25-,26-/m1/s1
InChIKeyZQYUKJFJPJDMMR-YGVSGEOZSA-N
ChEBI Ontology
Outgoing Relation(s)
glyco-alpha-muricholic acid (CHEBI:232567) is a bile acid glycine conjugate (CHEBI:36255)