Cobalt-factor III

Properties Image MNX_ID MNXM1104930 reference keggC:C17401 formula C43H46CoN4O16 global charge 0 mol weight 933.786 InChIKey RQHZZQLPDALGEQ-CYGMIEPJSA-L InChI InChI=1S/C43H48N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h14-16,24-25H,4-13,17-18H2,1-3H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/t24-,25-,42+,43+;/m1./s1 SMILES C/C1=C2/N=C(/C=C3\N4[Co]N5C(=C(CCC(=O)O)C(CC(=O)O)=C15)/C=C1\N=C(/C=C\4[C@@H](CCC(=O)O)[C@]3(C)CC(=O)O)C(CC(=O)O)=C1CCC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O MNX internals InChI (mnx) InChI=1/C43H48N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h14-16,24-25H,4-13,17-18H2,1-3H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/t24-,25-,42+,43+;/m1./s1 SMILES (mnx) [CH3:1]/[C:19]1=[C:41]2\[C@@:43]([CH3:3])([CH2:18][C:39](=[O:62])[OH:63])[C@H:25]([CH2:7][CH2:11][C:35](=[O:54])[OH:55])[C:30](=[N:47]2)/[CH:16]=[C:31]2/[C@@:42]([CH3:2])([CH2:17][C:38](=[O:60])[OH:61])[C@H:24]([CH2:6][CH2:10][C:34](=[O:52])[OH:53])[C:29](=[NH+:45]2)/[CH:15]=[C:28]2[C:22](/[CH2:12][C:36](=[O:56])[OH:57])=[C:20]([CH2:4][CH2:8][C:32](=[O:48])[OH:49])\[C:26](=[CH:14]\[C:27]3=[C:21]([CH2:5][CH2:9][C:33](=[O:50])[OH:51])[C:23]([CH2:13][C:37](=[O:58])[OH:59])=[C:40]1[NH:46]3)[N-:44]/2.[Co+2:64]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 1