glycocholate
AlkaPlorer ID: AK000981
Synonym: '', '863-57-0', '3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine', 'glycocholate', 'GLYCOCHOLIC ACID', 'N-(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-ylglycine', 'N-choloylglycine', 'glycocholic acid', '475-31-0', 'Glycocholic acid', '3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine'
IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,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]pentanoyl]amino]acetic acid
Structure
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C
InChI: InChI=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
InChIKey: RFDAIACWWDREDC-DWEZCJEESA-N
Source
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Properties Information
Molecule Weight: 465.6310000000003
TPSA？: 127.09000000000002
MolLogP？: 2.564899999999999
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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