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

Co-precorrin-8X

Properties Image MNX_ID MNXM1583434 reference chebi:70792 formula C45H52CoN4O14 global charge -6 mol weight 931.858 InChIKey DPVDDBUQBNNVPO-WTEINHRPSA-F InChI InChI=1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-8/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1 SMILES CC1=C2[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])[C@]3(C)[C@H]4[C@H](CC(=O)[O-])[C@@](C)(CCC(=O)[O-])C5=[N+]4[Co-2]4(N23)[N+]2=C1[C@@](C)(CC(=O)[O-])C(CCC(=O)[O-])=C2C[C@@]1(C)C(C)=C(CCC(=O)[O-])C(=[N+]14)C5C MNX internals InChI (mnx) InChI=1/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40,49H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);/q;+1/b37-22?;/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1 SMILES (mnx) [CH3:1][CH:21]1[C:36]2=[N:48][C@@:44]([CH3:7])([CH2:18][C:28]3=[C:25]([CH2:10][CH2:13][C:30]([OH:52])=[O:53])[C@:42]([CH3:5])([CH2:19][C:34]([OH:60])=[O:61])[C:39](=[N:46]3)[C:22]([CH3:2])=[C:37]3[C@@H:26]([CH2:11][CH2:14][C:31]([OH:54])=[O:55])[C@:43]([CH3:6])([CH2:20][C:35](=[O:62])[OH:63])[C@:45]([CH3:8])([C@H:40]4[C@H:27]([CH2:17][C:33]([OH:58])=[O:59])[C@@:41]([CH3:4])([CH2:16][CH2:15][C:32]([OH:56])=[O:57])[C:38]1=[N:47]4)[NH:49]3)[C:23]([CH3:3])=[C:24]2[CH2:9][CH2:12][C:29]([OH:50])=[O:51].[Co+:64]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
CHEBI:70792 chebi:70792 DPVDDBUQBNNVPO-WTEINHRPSA-F	Co-precorrin-8X cobalt-precorrin-8 hexaanion cobalt-precorrin-8(6-) cobalt-precorrin-8X hexaanion cobalt-precorrin-8X(6-)
bigg.metabolite:copre8 biggM:copre8 DPVDDBUQBNNVPO-WTEINHRPSA-F	Cobalt-precorrin 8
seed.compound:cpd25541 seedM:cpd25541 DPVDDBUQBNNVPO-WTEINHRPSA-F	cobalt-precorrin-8x cobalt-precorrin-8
CHEBI:3795 chebi:3795 DPVDDBUQBNNVPO-WTEINHRPSA-F	cobalt-precorrin-8 3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt Cobalt-precorrin 8 cobalt-precorrin-8x
metacyc.compound:CPD-9045 metacycM:CPD-9045 DPVDDBUQBNNVPO-WTEINHRPSA-F	cobalt-precorrin-8 cobalt-precorrin-8x
biggM:M_copre8 seedM:M_cpd25541	secondary/obsolete/fantasy identifier