CHEBI:181126 - Hyodeoxycholylglycine

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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 Hyodeoxycholylglycine
ChEBI ID CHEBI:181126
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H43NO5
Net Charge 0
Average Mass 449.632
Monoisotopic Mass 449.31412
InChI InChI=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)
InChIKey SPOIYSFQOFYOFZ-UHFFFAOYSA-N
SMILES OC1C2C(C3C(C4C(C(CC4)C(CCC(=O)NCC(O)=O)C)(CC3)C)C1)(CCC(O)C2)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
102648 ChemSpider
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