PDB CCD ID: | 1HE | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C25 H42 N7 O17 P3 S2 | ||||||||||||
InChI: | InChI=1S/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1 | ||||||||||||
InChIKey: | SIEFLYWJLBNLAM-CITAKDKDSA-N | ||||||||||||
SMILES: |
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Name: | 3-methylmercaptopropionate-CoA (MMPA-CoA) | ||||||||||||
ZINC: | ZINC000198971969 |