**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) [13CH2:1]([CH2:7][C:52]([NH2:72])=[O:73])[C:28]1=[CH:24][CH2:65][C:41]([CH2:19][c:42]2[c:30]([13CH2:2][CH2:8][C:53]([OH:74])=[O:75])[c:36]([CH2:14][C:59](=[O:86])[OH:87])[c:47]([CH2:20][c:43]3[c:31]([CH2:3][CH2:9][C:54]([OH:76])=[O:77])[c:37]([CH2:15][C:60](=[O:88])[OH:89])[c:48]([CH2:21][c:44]4[c:32]([CH2:4][CH2:10][C:55]([OH:78])=[O:79])[c:38]([CH2:16][C:61](=[O:90])[OH:91])[c:49]([CH2:22][c:45]5[c:33]([CH2:5][CH2:11][C:56]([OH:80])=[O:81])[c:39]([CH2:17][C:62](=[O:92])[OH:93])[c:50]([CH2:23][c:46]6[c:34]([CH2:6][CH2:12][C:57]([OH:82])=[O:83])[c:40]([CH2:18][C:63](=[O:94])[OH:95])[c:51]([CH2:27][O:96][CH2:26][CH:29]([C:25](=[NH:71])[OH:97])[CH2:64][SH:98])[nH:70]6)[nH:69]5)[nH:68]4)[nH:67]3)[nH:66]2)=[C:35]1[CH2:13][C:58](=[O:84])[OH:85]

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