cyanophycin

Properties Image MNX_ID MNXM10502 reference metacycM:Cyanophycin formula C40H68N20O16*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C42H74N20O16/c1-19(63)24(15-28(64)56-20(35(71)72)7-3-11-52-39(43)44)60-33(69)26(17-30(66)58-22(37(75)76)9-5-13-54-41(47)48)62-34(70)27(18-31(67)59-23(38(77)78)10-6-14-55-42(49)50)61-32(68)25(51-2)16-29(65)57-21(36(73)74)8-4-12-53-40(45)46/h20-27,51H,3-18H2,1-2H3,(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,69)(H,61,68)(H,62,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H4,43,44,52)(H4,45,46,53)(H4,47,48,54)(H4,49,50,55)/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:19]([C@H:24]([CH2:15][C:28](=[N:56][C@@H:20]([CH2:7][CH2:3][CH2:11][NH:52][C:39](=[NH:43])[NH2:44])[C:35](=[O:71])[OH:72])[OH:64])[N:60]=[C:33]([C@H:26]([CH2:17][C:30](=[N:58][C@@H:22]([CH2:9][CH2:5][CH2:13][NH:54][C:41](=[NH:47])[NH2:48])[C:37](=[O:75])[OH:76])[OH:66])[N:62]=[C:34]([C@H:27]([CH2:18][C:31](=[N:59][C@@H:23]([CH2:10][CH2:6][CH2:14][NH:55][C:42](=[NH:49])[NH2:50])[C:38](=[O:77])[OH:78])[OH:67])[N:61]=[C:32]([C@H:25]([CH2:16][C:29](=[N:57][C@@H:21]([CH2:8][CH2:4][CH2:12][NH:53][C:40](=[NH:45])[NH2:46])[C:36](=[O:73])[OH:74])[OH:65])[NH:51][13CH3:2])[OH:68])[OH:70])[OH:69])=[O:63]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0