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Co-Methyl-Co-5-hydroxybenzimidazolylcob(I)amide

PropertiesImage
MNX_IDMNXM5684 Image of MNXM5684
referenceseedM:cpd02842
formulaC61H85CoN13O15P
global charge-2
mol weight1330.334
InChIKeySGVUDYOELVPWOF-CHZBYTHKSA-J
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;;/h10,14,20,22,27-28,33-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H17,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);1H3;/q;;+2/p-4/b40-22-;;/t28-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;;/m1../s1
SMILESCC1=C2N3C(=C(CCC(N)=O)[C@]2(C)CC(N)=O)C=C2[N+]4=C(C(C)=C5N6[C@@H]7[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]5[C@@H](O)[C@H](O[C@@H]5CO)[N+]5=CN(C8=CC([O-])=CC=C85)[Co-3]364(C)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]73C)[C@@H](CCC(N)=O)C2(C)C
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;;/h10,14,20,22,27-28,33-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H17,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);1H3;/q;;+2/b40-22-;;/t28-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;;/m1../s1 Image of MNXM5684
SMILES (mnx)[CH3:1][C@H:28]([CH2:25][N:67]=[C:47]([CH2:18][CH2:19][C@:57]1([CH3:6])[C@@H:35]([CH2:21][C:44](=[NH:64])[OH:79])[C@@H:54]2[C@@:60]3([CH3:9])[C@@:59]([CH3:8])([CH2:24][C:46](=[NH:66])[OH:81])[C@H:34]([CH2:13][CH2:17][C:43](=[NH:63])[OH:78])[C:49](=[C:30]([CH3:3])[C:53]4=[N:69][C:36](=[C:32]([CH2:11][CH2:15][C:41](=[NH:61])[OH:76])[C@:58]4([CH3:7])[CH2:23][C:45](=[NH:65])[OH:80])/[CH:22]=[C:40]4/[C:56]([CH3:4])([CH3:5])[C@H:33]([CH2:12][CH2:16][C:42](=[NH:62])[OH:77])[C:48](=[C:29]([CH3:2])[C:52]1=[N:71]2)[NH:70]4)[NH:72]3)[OH:82])[O:87][P:89]([OH:84])(=[O:85])[O:88][C@@H:51]1[C@@H:39]([CH2:26][OH:74])[O:86][C@H:55]([N+:73]2=[CH:27][NH:68][C:37]3=[C:38]2[CH:14]=[CH:10][C:31]([O-:75])=[CH:20]3)[C@@H:50]1[OH:83].[CH3:90].[Co+2:91]
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

seed.compound:cpd02842
seedM:cpd02842
SGVUDYOELVPWOF-CHZBYTHKSA-J 		Co-Methyl-Co-5-hydroxybenzimidazolylcob(I)amide
Co-methyl-Co-5-hydroxybenzimidazolylcob(I)amide
Coalpha-[alpha-(5-hydroxybenzimidazolyl)]-Cobeta-methylcobamide

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
seedM:M_cpd02842 		secondary/obsolete/fantasy identifier