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

a [methyl-Co(III) corrinoid Fe-S protein]

Properties Image MNX_ID MNXM8875 reference metacycM:Methylated-corrinoid-Fe-S-Proteins formula C68H98CoN16O16P*2 global charge 2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CC1=CNC=[NH+]1)C([*])=O.COC1=CC=C2C(=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-2]579C)[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.CH3.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;;/h11,15,21,23,28-29,33-36,40,51-52,55-56,75,83H,12-14,16-20,22,24-27H2,1-10H3,(H15,62,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,84,85);4-5,8-9H,3H2,1-2H3,(H,10,11);1H3;/q;;;+2/t29-,33-,34-,35-,36+,40-,51-,52-,55-,56+,58-,59+,60+,61+;8-;;/m10../s1/i;1+1,2+1;; SMILES (mnx) [13CH3:91][C:96]([C@H:98]([CH2:93][C:97]1=[CH:94][N:100]=[CH:95][NH:101]1)[NH:99][13CH3:92])=[O:102].[CH3:103].[CH3:1][C@H:29]([CH2:26][N:68]=[C:48]([CH2:19][CH2:20][C@:58]1([CH3:6])[C@@H:36]([CH2:22][C:45](=[NH:65])[OH:79])[C@@H:55]2[C@@:61]3([CH3:9])[C@@:60]([CH3:8])([CH2:25][C:47](=[NH:67])[OH:81])[C@H:35]([CH2:14][CH2:18][C:44](=[NH:64])[OH:78])[C:50](=[C:31]([CH3:3])[C:54]4=[N:70][C:37](=[CH:23][C:41]5=[N:71][C:49](=[C:30]([CH3:2])[C:53]1=[N:72]2)[C@@H:34]([CH2:13][CH2:17][C:43](=[NH:63])[OH:77])[C:57]5([CH3:4])[CH3:5])[C@@H:33]([CH2:12][CH2:16][C:42](=[NH:62])[O-:76])[C@:59]4([CH3:7])[CH2:24][C:46](=[NH:66])[OH:80])[NH:73]3)[OH:82])[O:88][P:90]([OH:84])(=[O:85])[O:89][C@@H:52]1[C@@H:40]([CH2:27][OH:75])[O:87][C@H:56]([N+:74]2=[CH:28][NH:69][C:38]3=[C:39]2[CH:15]=[CH:11][C:32]([O:86][CH3:10])=[CH:21]3)[C@@H:51]1[OH:83].[Co+2:104]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Methylated-corrinoid-Fe-S-Proteins metacycM:Methylated-corrinoid-Fe-S-Proteins	a [methyl-Co(III) corrinoid Fe-S protein] CH3-Co(III)FeSP CoFeSP a methylated corrinoid Fe-S protein
seed.compound:cpd27517 seedM:cpd27517	Methylated-corrinoid-Fe-S-Proteins
seedM:M_cpd27517	secondary/obsolete/fantasy identifier