a [hydroxymethylbilane synthase] ES3 intermediate

Properties Image MNX_ID MNXM1134437 reference metacycM:Hydroxymethylbilane-Synthase-ES3 formula C53H50N6O21S*2 global charge -10 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CSCC1=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC2=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC3=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC4=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC5=C(CC(=O)[O-])C(CCC(=O)[O-])=CN5)N4)N3)N2)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C55H66N6O21S/c1-25(62)44(56-2)23-83-24-45-35(17-55(81)82)30(7-12-50(71)72)40(61-45)21-43-34(16-54(79)80)29(6-11-49(69)70)39(60-43)20-42-33(15-53(77)78)28(5-10-48(67)68)38(59-42)19-41-32(14-52(75)76)27(4-9-47(65)66)37(58-41)18-36-31(13-51(73)74)26(22-57-36)3-8-46(63)64/h22,44,56-61H,3-21,23-24H2,1-2H3,(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/t44-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:25]([C@H:44]([CH2:23][S:83][CH2:24][C:45]1=[C:35]([CH2:17][C:55](=[O:81])[OH:82])[C:30]([CH2:7][CH2:12][C:50](=[O:71])[OH:72])=[C:40]([CH2:21][C:43]2=[C:34]([CH2:16][C:54](=[O:79])[OH:80])[C:29]([CH2:6][CH2:11][C:49](=[O:69])[OH:70])=[C:39]([CH2:20][C:42]3=[C:33]([CH2:15][C:53](=[O:77])[OH:78])[C:28]([CH2:5][CH2:10][C:48](=[O:67])[OH:68])=[C:38]([CH2:19][C:41]4=[C:32]([CH2:14][C:52](=[O:75])[OH:76])[C:27]([CH2:4][CH2:9][C:47](=[O:65])[OH:66])=[C:37]([CH2:18][C:36]5=[C:31]([CH2:13][C:51](=[O:73])[OH:74])[C:26]([CH2:3][CH2:8][C:46](=[O:63])[OH:64])=[CH:22][NH:57]5)[NH:58]4)[NH:59]3)[NH:60]2)[NH:61]1)[NH:56][13CH3:2])=[O:62]

Parent-child relations graph

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