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

a [Co(I) corrinoid Fe-S protein]

Properties Image MNX_ID MNXM147400 reference metacycM:CoI-Corrinoid-Fe-S-proteins formula C67H95CoN16O16P*2 global charge 1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](Cc1c[nH]c[nH+]1)C([*])=O.COc1ccc2c(c1)[nH+]cn2[C@H]1O[C@H](CO)[C@@H](OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]2(C)C3=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]9[C@@](C)([C@@H]([C@@H]2CC(N)=O)N3[Co-3]579)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O)[C@H]1O MNX internals InChI (mnx) InChI=1/C61H88N13O15P.C8H13N3O.Co/c1-29(88-90(84,85)89-52-40(27-75)87-56(51(52)83)74-28-69-38-21-32(86-10)11-15-39(38)74)26-68-48(82)19-20-58(6)36(22-45(65)79)55-61(9)60(8,25-47(67)81)35(14-18-44(64)78)50(73-61)31(3)54-59(7,24-46(66)80)33(12-16-42(62)76)37(70-54)23-41-57(4,5)34(13-17-43(63)77)49(71-41)30(2)53(58)72-55;1-6(12)8(9-2)3-7-4-10-5-11-7;/h11,15,21,23,28-29,33-36,40,51-52,55-56,72,75,83H,12-14,16-20,22,24-27H2,1-10H3,(H2,62,76)(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H,68,82)(H,84,85);4-5,8-9H,3H2,1-2H3,(H,10,11);/q;;+1/b41-23?,53-30?,54-31?;;/t29-,33-,34-,35-,36+,40-,51-,52-,55-,56+,58-,59+,60+,61+;8-;/m10./s1/i;1+1,2+1; SMILES (mnx) [13CH2:91]([C@@H:95]([C:93](=[NH:100])[NH2:101])[CH2:97][OH:102])[C:96]1=[13CH:92][CH2:98][CH:94]=[N:99]1.[CH3:1][C@H:29]([CH2:26][NH:68][C:48]([CH2:19][CH2:20][C@:58]1([CH3:6])[C@@H:36]([CH2:22][C:45]([NH2:65])=[O:79])[C@@H:55]2[C@@:61]3([CH3:9])[C@@:60]([CH3:8])([CH2:25][C:47]([NH2:67])=[O:81])[C@H:35]([CH2:14][CH2:18][C:44]([NH2:64])=[O:78])[C:50](=[N:73]3)[C:31]([CH3:3])=[C:54]3[C@@:59]([CH3:7])([CH2:24][C:46]([NH2:66])=[O:80])[C@H:33]([CH2:12][CH2:16][C:42]([NH2:62])=[O:76])[C:37](=[N:70]3)[CH:23]=[C:41]3[C:57]([CH3:4])([CH3:5])[C@H:34]([CH2:13][CH2:17][C:43]([NH2:63])=[O:77])[C:49](=[N:71]3)[C:30]([CH3:2])=[C:53]1[NH:72]2)=[O:82])[O:88][P:90](=[O:84])([OH:85])[O:89][C@@H:52]1[C@@H:40]([CH2:27][OH:75])[O:87][C@H:56]([n:74]2[cH:28][n:69][c:38]3[cH:21][c:32]([O:86][CH3:10])[cH:11][cH:15][c:39]32)[C@@H:51]1[OH:83].[Co+:103]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CoI-Corrinoid-Fe-S-proteins metacycM:CoI-Corrinoid-Fe-S-proteins	a [Co(I) corrinoid Fe-S protein] Co(I)FeSP CoFeSP a corrinoid Fe-S protein