EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:95157 - 2-[[(4R)-1-oxo-4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid

ChEBI IDCHEBI:95157
ChEBI Name2-[[(4R)-1-oxo-4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid
Stars
DownloadsMolfile
FormulaC26H43NO6
Net Charge0
Average Mass465.631
Monoisotopic Mass465.30904
SMILESC[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O
InChIInChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15?,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1
InChIKeyRFDAIACWWDREDC-FLUXYBASSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[(4R)-1-oxo-4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid (CHEBI:95157) is a bile acid glycine conjugate (CHEBI:36255)
Manual XrefsDatabases
LSM-6431LINCS