PDB CCD ID: | 01A | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C29 H41 Cl N7 O17 P3 S | ||||||||||||
InChI: | InChI=1S/C29H41ClN7O17P3S/c1-29(2,24(41)27(42)33-8-7-20(39)32-9-10-58-12-18(38)16-3-5-17(30)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)37-15-36-21-25(31)34-14-35-26(21)37/h3-6,14-15,19,22-24,28,40-41H,7-13H2,1-2H3,(H,32,39)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1 | ||||||||||||
InChIKey: | JKZHFXZXNBMAGG-VXAHOBLNSA-N | ||||||||||||
SMILES: |
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Name: | 4-Chlorophenacyl-coenzyme A | ||||||||||||
ZINC: | ZINC000197593146 |