a [hydroxymethylbilane synthase] ES4 intermediate

Properties Image MNX_ID MNXM1134438 reference metacycM:Hydroxymethylbilane-Synthase-ES4 formula C63H59N7O25S*2 global charge -12 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-])=C(CC6=C(CC(=O)[O-])C(CCC(=O)[O-])=CN6)N5)N4)N3)N2)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C65H77N7O25S/c1-29(73)52(66-2)27-98-28-53-41(20-65(96)97)35(8-14-59(84)85)47(72-53)25-51-40(19-64(94)95)34(7-13-58(82)83)46(71-51)24-50-39(18-63(92)93)33(6-12-57(80)81)45(70-50)23-49-38(17-62(90)91)32(5-11-56(78)79)44(69-49)22-48-37(16-61(88)89)31(4-10-55(76)77)43(68-48)21-42-36(15-60(86)87)30(26-67-42)3-9-54(74)75/h26,52,66-72H,3-25,27-28H2,1-2H3,(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)/t52-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:29]([C@H:52]([CH2:27][S:98][CH2:28][C:53]1=[C:41]([CH2:20][C:65](=[O:96])[OH:97])[C:35]([CH2:8][CH2:14][C:59](=[O:84])[OH:85])=[C:47]([CH2:25][C:51]2=[C:40]([CH2:19][C:64](=[O:94])[OH:95])[C:34]([CH2:7][CH2:13][C:58](=[O:82])[OH:83])=[C:46]([CH2:24][C:50]3=[C:39]([CH2:18][C:63](=[O:92])[OH:93])[C:33]([CH2:6][CH2:12][C:57](=[O:80])[OH:81])=[C:45]([CH2:23][C:49]4=[C:38]([CH2:17][C:62](=[O:90])[OH:91])[C:32]([CH2:5][CH2:11][C:56](=[O:78])[OH:79])=[C:44]([CH2:22][C:48]5=[C:37]([CH2:16][C:61](=[O:88])[OH:89])[C:31]([CH2:4][CH2:10][C:55](=[O:76])[OH:77])=[C:43]([CH2:21][C:42]6=[C:36]([CH2:15][C:60](=[O:86])[OH:87])[C:30]([CH2:3][CH2:9][C:54](=[O:74])[OH:75])=[CH:26][NH:67]6)[NH:68]5)[NH:69]4)[NH:70]3)[NH:71]2)[NH:72]1)[NH:66][13CH3:2])=[O:73]

Parent-child relations graph

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