| CAS Number | 64431-95-4 |
| Catalog Number | AG00E9AV(AGN-PC-0TCKGO) |
| Chemical Name | GLYCOCHOLIC ACID-13C1 (GLYCYL-1-13C) |
| IUPAC Name | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,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;hydrate |
| InChI | InChI=1S/C26H43NO6.H2O/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);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/i23+1; |
| InChI Key | WDKPRHOCWKLQPK-TXDHSPGBSA-N |
| MDL Number | MFCD00167404 |
| Molecular Formula | C26H45NO7 |
| Molecular Weight | 483.6380 |
| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.O |
| Synonyms | 64431-95-4,
Glycocholic acid-(glycyl-1-13C) monohydrate,
DTXSID40583564,
PUBCHEM_16212150,
Glycocholic acid-(glycyl-1-13C) monohydrate, 99 atom % 13C,
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