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CHEBI:181446 - N-(3,12-Dihydroxycholan-24-yl)glycine

ChEBI IDCHEBI:181446
ChEBI NameN-(3,12-Dihydroxycholan-24-yl)glycine
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FormulaC26H45NO4
Net Charge0
Average Mass435.649
Monoisotopic Mass435.33486
SMILES[H][C@]12CCC3C4CCC(C(C)CCCNCC(=O)O)[C@@]4(C)[C@@H](O)CC3[C@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C26H45NO4/c1-16(5-4-12-27-15-24(30)31)20-8-9-21-19-7-6-17-13-18(28)10-11-25(17,2)22(19)14-23(29)26(20,21)3/h16-23,27-29H,4-15H2,1-3H3,(H,30,31)/t16?,17-,18-,19?,20?,21?,22?,23+,25-,26-/m1/s1
InChIKeySJBHFAAZLAILHS-QJEGWHEBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(3,12-Dihydroxycholan-24-yl)glycine (CHEBI:181446) is a aza-steroid (CHEBI:35726)
IUPAC Name 
2-[4-[(3R,5R,10R,12S,13R)-3,12-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]pentylamino]acetic acid
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