an L-isoleucyl-[tRNAIle]

Properties Image MNX_ID MNXM16648 reference metacycM:Charged-ILE-tRNAs formula C34H46N12O22P3* global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OC(=O)[C@@H]([NH3+])[C@@H](C)CC)[C@@H]1O MNX internals InChI (mnx) InChI=1/C35H51N12O22P3/c1-4-14(2)20(38)33(51)67-27-22(48)15(64-32(27)47-13-42-21-28(39)40-12-41-29(21)47)9-62-71(56,57)68-26-17(66-31(24(26)50)46-8-6-19(37)44-35(46)53)11-63-72(58,59)69-25-16(10-61-70(54,55)60-3)65-30(23(25)49)45-7-5-18(36)43-34(45)52/h5-8,12-17,20,22-27,30-32,48-50H,4,9-11,38H2,1-3H3,(H,54,55)(H,56,57)(H,58,59)(H2,36,43,52)(H2,37,44,53)(H2,39,40,41)/t14-,15+,16+,17+,20-,22+,23+,24+,25+,26+,27+,30+,31+,32+/m0/s1/i3+1 SMILES (mnx) [CH3:1][CH2:4][C@H:14]([CH3:2])[C@@H:20]([C:33](=[O:51])[O:67][C@@H:27]1[C@H:22]([OH:48])[C@@H:15]([CH2:9][O:62][P:71]([OH:56])(=[O:57])[O:68][C@@H:26]2[C@@H:17]([CH2:11][O:63][P:72]([OH:58])(=[O:59])[O:69][C@@H:25]3[C@@H:16]([CH2:10][O:61][P:70]([OH:54])(=[O:55])[O:60][13CH3:3])[O:65][C@@H:30]([N:45]4[CH:7]=[CH:5][C:18](=[NH:36])[N:43]=[C:34]4[OH:52])[C@@H:23]3[OH:49])[O:66][C@@H:31]([N:46]3[CH:8]=[CH:6][C:19](=[NH:37])[N:44]=[C:35]3[OH:53])[C@@H:24]2[OH:50])[O:64][C@H:32]1[N:47]1[CH:13]=[N:42][C:21]2=[C:28]([NH2:39])[N:40]=[CH:12][N:41]=[C:29]21)[NH2:38]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0