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CHEBI:166732 - Glycohyodeoxycholic acid

ChEBI IDCHEBI:166732
ChEBI NameGlycohyodeoxycholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO5
Net Charge0
Average Mass449.632
Monoisotopic Mass449.31412
SMILES[H][C@@]12C[C@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)NCC(=O)O
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)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
InChIKeySPOIYSFQOFYOFZ-BRDORRHWSA-N
ChEBI Ontology
Outgoing Relation(s)
Glycohyodeoxycholic acid (CHEBI:166732) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-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]pentanoyl]amino]acetic acid
Manual XrefsDatabases
102648ChemSpider
Registry NumbersSources
CAS:13042-33-6ChemIDplus