O-[5'-(adenyl-(5'->3')-adenyl)]-L-tyrosine residue

Properties Image MNX_ID MNXM1133522 reference chebi:167160 formula C29H31N11O14P2*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CC1=CC=C(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)C=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C31H39N11O14P2/c1-14(43)17(34-2)7-15-3-5-16(6-4-15)55-57(47,48)52-9-19-25(24(46)31(54-19)42-13-40-21-27(33)36-11-38-29(21)42)56-58(49,50)51-8-18-22(44)23(45)30(53-18)41-12-39-20-26(32)35-10-37-28(20)41/h3-6,10-13,17-19,22-25,30-31,34,44-46H,7-9H2,1-2H3,(H,47,48)(H,49,50)(H2,32,35,37)(H2,33,36,38)/t17-,18+,19+,22+,23+,24+,25+,30+,31+/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:14]([C@H:17]([CH2:7][C:15]1=[CH:4][CH:6]=[C:16]([O:55][P:57]([OH:47])(=[O:48])[O:52][CH2:9][C@@H:19]2[C@@H:25]([O:56][P:58]([OH:49])(=[O:50])[O:51][CH2:8][C@@H:18]3[C@@H:22]([OH:44])[C@@H:23]([OH:45])[C@H:30]([N:41]4[CH:12]=[N:39][C:20]5=[C:26]([NH2:32])[N:35]=[CH:10][N:37]=[C:28]54)[O:53]3)[C@@H:24]([OH:46])[C@H:31]([N:42]3[CH:13]=[N:40][C:21]4=[C:27]([NH2:33])[N:36]=[CH:11][N:38]=[C:29]43)[O:54]2)[CH:5]=[CH:3]1)[NH:34][13CH3:2])=[O:43]

Parent-child relations graph

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