PDB CCD ID: | CS8 | ||||||||||||
Number of entries in BioLiP: | 4 | ||||||||||||
Chemical formula: | C28 H48 N7 O17 P3 S2 | ||||||||||||
InChI: | InChI=1S/C28H48N7O17P3S2/c1-4-5-6-10-56-13-19(37)57-11-9-30-18(36)7-8-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1 | ||||||||||||
InChIKey: | JMFXDZKFFYUOAN-SVHODSNWSA-N | ||||||||||||
SMILES: |
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Name: | 3-THIAOCTANOYL-COENZYME A | ||||||||||||
DrugBank: | DB03415 | ||||||||||||
ZINC: | ZINC000096068405 |