| Properties | Image |
MNX_ID | MNXM741322 |
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reference | biggM:mettrna |
formula | C15H22N6O4S* |
global charge | 1 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]CC1OC(N2C=NC3=C2N=CN=C3N)C(OC(=O)C([NH3+])CCSC)C1O |
MNX internals
InChI (mnx) | InChI=1/C16H24N6O4S/c1-3-9-11(23)12(26-16(24)8(17)4-5-27-2)15(25-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23H,3-5,17H2,1-2H3,(H2,18,19,20)/t8?,9?,11?,12?,15?/i1+1 |
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SMILES (mnx) | [13CH3:1][CH2:3][CH:9]1[CH:11]([OH:23])[CH:12]([O:26][C:16]([CH:8]([CH2:4][CH2:5][S:27][CH3:2])[NH2:17])=[O:24])[CH:15]([N:22]2[CH:7]=[N:21][C:10]3=[C:13]([NH2:18])[N:19]=[CH:6][N:20]=[C:14]32)[O:25]1 |
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