CIS-DIHYDRODIOL-DERIV-PHEAC
Molecular Formula:
C29H44N7O19P3S
InChI: InChI=1/C29H44N7O19P3S/c1-28(2,23(41)26(42)32-8-6-18(38)31-9-10-59-19(39)11-29(43)7-4-3-5-17(29)37)13-52-58(49,50)55-57(47,48)51-12-16-22(54-56(44,45)46)21(40)27(53-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,37,40-41,43H,6,8-13H2,1-2H3,(H,31,38)(H,32,42)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/f/h31-32,44-45,47,49H,30H2
InChIKey: InChIKey=FGLOXTAZEAOLJK-VITUWYNVCW
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4(C=CC=CC4O)O)O
Names:
cis-dihydrodiol derivative of phenylacetyl-CoA
CIS-DIHYDRODIOL-DERIV-PHEAC
[5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[2-(1,6-dihydroxy-1-cyclohexa-2,4-dienyl)acetyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Registries:
PubChem CID 656441
PubChem ID 2241
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