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Co-methyl-Co-5-hydroxybenzimidazolylcob(III)amide

PropertiesImage
MNX_IDMNXM1584649 Image of MNXM1584649
referencechebi:16379
formulaC61H87CoN13O15P
global charge 
mol weight1332.35
InChIKeyVPKSATWUTVJDMY-CXCINMATSA-L
InChIInChI=1S/C60H86N13O15P.CH3.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);1H3;/q;;+2/p-2/t28-,32-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;;/m1../s1
SMILESCC1=C2N3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@H](O[C@@H]2CO)n2c[n+](c5cc(O)ccc52)[Co-3]325(C)[N+]3=C1[C@@H](CCC(N)=O)C(C)(C)C3=CC1=[N+]2C(=C(C)C2=[N+]5[C@]4(C)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O
MNX internals
InChI (mnx)InChI=1/C60H86N13O15P.CH3.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;;/h10,14,20,22,27-28,32-35,39,50-51,54-55,71,74-75,83H,11-13,15-19,21,23-26H2,1-9H3,(H2,61,76)(H2,62,77)(H2,63,78)(H2,64,79)(H2,65,80)(H2,66,81)(H,67,82)(H,84,85);1H3;/q;-1;+2/b40-22?,52-29?,53-30?;;/t28-,32-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;;/m1../s1 Image of MNXM1584649
SMILES (mnx)[CH3:1][C@H:28]([CH2:25][NH:67][C:47]([CH2:18][CH2:19][C@:57]1([CH3:6])[C@@H:35]([CH2:21][C:44]([NH2:64])=[O:79])[C@@H:54]2[C@@:60]3([CH3:9])[C@@:59]([CH3:8])([CH2:24][C:46]([NH2:66])=[O:81])[C@H:34]([CH2:13][CH2:17][C:43]([NH2:63])=[O:78])[C:49](=[N:72]3)[C:30]([CH3:3])=[C:53]3[C@@:58]([CH3:7])([CH2:23][C:45]([NH2:65])=[O:80])[C@H:32]([CH2:11][CH2:15][C:41]([NH2:61])=[O:76])[C:36](=[N:69]3)[CH:22]=[C:40]3[C:56]([CH3:4])([CH3:5])[C@H:33]([CH2:12][CH2:16][C:42]([NH2:62])=[O:77])[C:48](=[N:70]3)[C:29]([CH3:2])=[C:52]1[NH:71]2)=[O:82])[O:87][P:89](=[O:84])([OH:85])[O:88][C@@H:51]1[C@@H:39]([CH2:26][OH:74])[O:86][C@H:55]([n:73]2[cH:27][n:68][c:37]3[cH:20][c:31]([OH:75])[cH:10][cH:14][c:38]32)[C@@H:50]1[OH:83].[Co+2:91].[H][C-:90]([H])[H]
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
IdentifierDescription

CHEBI:16379
chebi:16379
VPKSATWUTVJDMY-CXCINMATSA-L 		Co-methyl-Co-5-hydroxybenzimidazolylcob(III)amide

metacyc.compound:5OH-benzimidazolyl-Me-cob-MtrA
metacycM:5OH-benzimidazolyl-Me-cob-MtrA
VPKSATWUTVJDMY-CXCINMATSA-L 		Coalpha-[alpha-(5-hydroxybenzimidazolyl)]-Cobeta-methylcob(III)amide-[MtrA protein]

metacyc.compound:CPD-7163
metacycM:CPD-7163
VPKSATWUTVJDMY-CXCINMATSA-L 		Coalpha-[alpha-(5-hydroxybenzimidazolyl)]-Cobeta-methylcob(III)amide
Co-methyl-Co-5-hydroxybenzimidazolylcob(I)amide

chebi:12418
chebi:20879
chebi:3769 		secondary/obsolete/fantasy identifier