Peptide N-(ADP-D-ribosyl)diphthamide

Properties Image MNX_ID MNXM737376 reference keggC:C04339 formula C29H44N11O16P2*2 global charge 1 mol weight   InChIKey   InChI   SMILES [*]NC(=O)[C@H](CC1=CN([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(CC[C@@H](C(N)=O)[N+](C)(C)C)=N1)NC([*])=O MNX internals InChI (mnx) InChI=1/C31H49N11O16P2/c1-14(43)38-16(29(49)34-2)8-15-9-40(20(39-15)7-6-17(27(33)48)42(3,4)5)30-24(46)22(44)18(56-30)10-54-59(50,51)58-60(52,53)55-11-19-23(45)25(47)31(57-19)41-13-37-21-26(32)35-12-36-28(21)41/h9,12-13,16-19,22-25,30-31,44-47H,6-8,10-11H2,1-5H3,(H7-,32,33,34,35,36,38,43,48,49,50,51,52,53)/t16-,17-,18+,19+,22+,23+,24+,25+,30-,31+/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:14](=[N:38][C@@H:16]([CH2:8][C:15]1=[CH:9][N:40]([C@@H:30]2[C@H:24]([OH:46])[C@H:22]([OH:44])[C@@H:18]([CH2:10][O:54][P:59](=[O:50])([OH:51])[O:58][P:60](=[O:52])([O-:53])[O:55][CH2:11][C@@H:19]3[C@@H:23]([OH:45])[C@@H:25]([OH:47])[C@H:31]([N:41]4[CH:13]=[N:37][C:21]5=[C:26]([NH2:32])[N:35]=[CH:12][N:36]=[C:28]54)[O:57]3)[O:56]2)[C:20]([CH2:7][CH2:6][C@@H:17]([C:27](=[NH:33])[OH:48])[N+:42]([CH3:3])([CH3:4])[CH3:5])=[N:39]1)[C:29](=[N:34][13CH3:2])[OH:49])[OH:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0