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CHEBI:181126 - Hyodeoxycholylglycine

ChEBI IDCHEBI:181126
ChEBI NameHyodeoxycholylglycine
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SubmitterMetaboLights
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FormulaC26H43NO5
Net Charge0
Average Mass449.632
Monoisotopic Mass449.31412
SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)
InChIKeySPOIYSFQOFYOFZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Hyodeoxycholylglycine (CHEBI:181126) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
2-[4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid
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