[cyanophycin]-L-aspartate

Properties Image MNX_ID MNXM726765 reference metacycM:Cyanophycin-aspartate formula C44H72N21O20* global charge -2 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)N[C@@H](CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C45H77N21O20/c1-54-23(14-28(67)59-19(37(77)78)6-2-10-55-42(46)47)33(73)63-24(15-29(68)60-20(38(79)80)7-3-11-56-43(48)49)34(74)64-25(16-30(69)61-21(39(81)82)8-4-12-57-44(50)51)35(75)65-26(36(76)66-27(41(85)86)18-32(71)72)17-31(70)62-22(40(83)84)9-5-13-58-45(52)53/h19-27,54H,2-18H2,1H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74)(H,65,75)(H,66,76)(H,71,72)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H4,46,47,55)(H4,48,49,56)(H4,50,51,57)(H4,52,53,58)/t19-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1/i1+1 SMILES (mnx) [13CH3:1][NH:54][C@@H:23]([CH2:14][C:28](=[N:59][C@@H:19]([CH2:6][CH2:2][CH2:10][NH:55][C:42](=[NH:46])[NH2:47])[C:37](=[O:77])[OH:78])[OH:67])[C:33](=[N:63][C@@H:24]([CH2:15][C:29](=[N:60][C@@H:20]([CH2:7][CH2:3][CH2:11][NH:56][C:43](=[NH:48])[NH2:49])[C:38](=[O:79])[OH:80])[OH:68])[C:34](=[N:64][C@@H:25]([CH2:16][C:30](=[N:61][C@@H:21]([CH2:8][CH2:4][CH2:12][NH:57][C:44](=[NH:50])[NH2:51])[C:39](=[O:81])[OH:82])[OH:69])[C:35](=[N:65][C@@H:26]([CH2:17][C:31](=[N:62][C@@H:22]([CH2:9][CH2:5][CH2:13][NH:58][C:45](=[NH:52])[NH2:53])[C:40](=[O:83])[OH:84])[OH:70])[C:36](=[N:66][C@@H:27]([CH2:18][C:32](=[O:71])[OH:72])[C:41](=[O:85])[OH:86])[OH:76])[OH:75])[OH:74])[OH:73]

Parent-child relations graph

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