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CHEBI:166733 - Glycoursocholanic acid

ChEBI IDCHEBI:166733
ChEBI NameGlycoursocholanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO3
Net Charge0
Average Mass417.634
Monoisotopic Mass417.32429
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCC(=O)O)[C@]1([H])CC2
InChIInChI=1S/C26H43NO3/c1-17(7-12-23(28)27-16-24(29)30)20-10-11-21-19-9-8-18-6-4-5-14-25(18,2)22(19)13-15-26(20,21)3/h17-22H,4-16H2,1-3H3,(H,27,28)(H,29,30)/t17-,18+,19+,20-,21+,22+,25+,26-/m1/s1
InChIKeyRTDFOQVLLJZRIH-JZAVHCKJSA-N
ChEBI Ontology
Outgoing Relation(s)
Glycoursocholanic acid (CHEBI:166733) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-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