| Pack Size | Availability | Purity | Price |
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| Standard English name | |
|---|---|
| Cas No. | 1001337-08-1 |
| Alias | S-(Butylthio)coenzyme A |
| Canonical Smiles | CCCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2C(N)=NC=NC1=2 |
| MDL No. | |
| Exact Mass | 855.14988 |
| Smiles | O[C@H](C(C)(COP(OP(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(O)(O)=O)(O)=O)(O)=O)C)C(NCCC(NCCSSCCCC)=O)=O |
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| Inchi | InChI=1S/C25H44N7O16P3S2/c1-4-5-9-52-53-10-8-27-16(33)6-7-28-23(36)20(35)25(2,3)12-45-51(42,43)48-50(40,41)44-11-15-19(47-49(37,38)39)18(34)24(46-15)32-14-31-17-21(26)29-13-30-22(17)32/h13-15,18-20,24,34-35H,4-12H2,1-3H3,(H,27,33)(H,28,36)(H,40,41)(H,42,43)(H2,26,29,30)(H2,37,38,39)/t15-,18-,19-,20+,24-/m1/s1 |
| InchiKey | BAZQLEHFJXIZQC-DJVIHCHSSA-N |
| Remark |
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