**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc6[nH]cc(CCC(=O)[O-])c6CC(=O)[O-])c(CCC(=O)[O-])c5CC(=O)[O-])c(CCC(=O)[O-])c4CC(=O)[O-])c(CCC(=O)[O-])c3CC(=O)[O-])c(CCC(=O)[O-])c2CC(=O)[O-])c(CCC(=O)[O-])c1CC(=O)[O-])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]([OH:84])=[O: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]([OH:82])=[O: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]([OH:80])=[O: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]([OH:78])=[O: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]([OH:76])=[O: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]([OH:74])=[O: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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Hydroxymethylbilane-Synthase-ES4 metacycM:Hydroxymethylbilane-Synthase-ES4	a [hydroxymethylbilane synthase] ES4 intermediate