| Properties | Image |
MNX_ID | MNXM741335 |
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reference | metacycM:Red-Thioredoxin |
formula | C10H14N4O4S2*4 |
global charge | 0 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]NC(CS)C(=O)NC([*])C(=O)NC([*])C(=O)NC(CS)C([*])=O |
MNX internals
InChI (mnx) | InChI=1/C14H26N4O4S2/c1-7(17-14(22)11(6-24)15-4)12(20)16-8(2)13(21)18-10(5-23)9(3)19/h7-8,10-11,15,23-24H,5-6H2,1-4H3,(H,16,20)(H,17,22)(H,18,21)/t7?,8?,10?,11?/i1+1,2+1,3+1,4+1 |
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SMILES (mnx) | [13CH3:1][CH:7]([C:12](=[N:16][CH:8]([13CH3:2])[C:13](=[N:18][CH:10]([CH2:5][SH:23])[C:9]([13CH3:3])=[O:19])[OH:21])[OH:20])[N:17]=[C:14]([CH:11]([CH2:6][SH:24])[NH:15][13CH3:4])[OH:22] |
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