an L-tryptophanyl-[tRNATrp]

Properties Image MNX_ID MNXM167418 reference metacycM:Charged-TRP-tRNAs formula C39H45N13O22P3* 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+])CC2=CNC3=C2C=CC=C3)[C@@H]1O MNX internals InChI (mnx) InChI=1/C40H50N13O22P3/c1-66-76(60,61)67-13-22-30(28(55)35(71-22)51-8-6-24(42)49-39(51)58)75-78(64,65)69-14-23-31(29(56)36(72-23)52-9-7-25(43)50-40(52)59)74-77(62,63)68-12-21-27(54)32(37(70-21)53-16-48-26-33(44)46-15-47-34(26)53)73-38(57)19(41)10-17-11-45-20-5-3-2-4-18(17)20/h2-9,11,15-16,19,21-23,27-32,35-37,45,54-56H,10,12-14,41H2,1H3,(H,60,61)(H,62,63)(H,64,65)(H2,42,49,58)(H2,43,50,59)(H2,44,46,47)/t19-,21+,22+,23+,27+,28+,29+,30+,31+,32+,35+,36+,37+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][O:66][P:76]([OH:60])(=[O:61])[O:67][CH2:13][C@@H:22]1[C@@H:30]([O:75][P:78]([OH:64])(=[O:65])[O:69][CH2:14][C@@H:23]2[C@@H:31]([O:74][P:77]([OH:62])(=[O:63])[O:68][CH2:12][C@@H:21]3[C@@H:27]([OH:54])[C@@H:32]([O:73][C:38]([C@H:19]([CH2:10][C:17]4=[CH:11][NH:45][C:20]5=[CH:5][CH:3]=[CH:2][CH:4]=[C:18]45)[NH2:41])=[O:57])[C@H:37]([N:53]4[CH:16]=[N:48][C:26]5=[C:33]([NH2:44])[N:46]=[CH:15][N:47]=[C:34]54)[O:70]3)[C@@H:29]([OH:56])[C@H:36]([N:52]3[CH:9]=[CH:7][C:25](=[NH:43])[N:50]=[C:40]3[OH:59])[O:72]2)[C@@H:28]([OH:55])[C@H:35]([N:51]2[CH:8]=[CH:6][C:24](=[NH:42])[N:49]=[C:39]2[OH:58])[O:71]1

Parent-child relations graph

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