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5-hydroxybenzimidazolylcob(I)amide

PropertiesImage
MNX_IDMNXM1584511 Image of MNXM1584511
referencechebi:17679
formulaC60H85CoN13O15P
global charge0
mol weight1318.323
InChIKeyCZOAGDFHXVBGHF-NCVPRIERSA-M
InChIInChI=1S/C60H86N13O15P.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);/q;+1/p-1/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-4]325[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.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);/q;+1/b40-22?,52-29?,53-30?;/t28-,32-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;/m1./s1 Image of MNXM1584511
SMILES (mnx)[Co+:90].[c:1]1([PH2:89])[cH:2][cH:4][c:6]2[c:5]([cH:3]1)[CH:7]=[CH:8][CH:9]2[O:78]1[O:79][O@:80]([O:81][OH:82])[O@:85]([O:86][O:87]([NH:66][N:65]([NH:62][NH:61][C:59]([CH2:58][NH:63][N@@:64]2([CH3:37])[C:10]3=[C:32]([CH3:33])[C:21]4=[CH:20][C:19](=[CH:18][C:17]5=[CH:16][C:15](=[C:30]([CH3:31])[C:13]6=[CH:12][C@@:35]([CH3:36])([C@H:34]([CH2:11]3)[C@H:53]2[CH2:54][C:55](=[CH2:56])[CH3:57])[N@:71]([CH2:49][C:50](=[CH2:51])[CH3:52])([NH2:72])[C@@H:14]6[NH:73][O:74][O:75](=[O:76])[OH:77])[C@:48]([CH3:29])([CH2:44][C:45](=[CH2:46])[CH3:47])[C@@H:38]5[CH2:39][CH2:40][C:41](=[CH2:42])[CH3:43])[C:26]([CH3:27])([CH3:28])[C@H:22]4[CH2:23][CH2:24][C:25](=[NH:69])[NH2:70])=[CH2:60])[NH2:67])(=[NH:68])[OH:88])[O@@:83]1[OH:84]
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:17679
chebi:17679
CZOAGDFHXVBGHF-NCVPRIERSA-M 		5-hydroxybenzimidazolylcob(I)amide
5-Hydroxybenzimidazolylcob(I)amide
5-hydroxybenzimidazolylcobamide

CHEBI:60494
chebi:60494
CZOAGDFHXVBGHF-NCVPRIERSA-L 		5-hydroxybenzimidazolylcob(I)amide
5-hydroxybenzimidazolylcob(I)amide(1-)

metacyc.compound:5OH-benzimidazolyl-cob-MtrA
metacycM:5OH-benzimidazolyl-cob-MtrA
CZOAGDFHXVBGHF-NCVPRIERSA-L 		Coalpha-[alpha-(5-hydroxybenzimidazolyl)]-cob(I)amide-[MtrA protein]

metacyc.compound:CPD-7162
metacycM:CPD-7162
CZOAGDFHXVBGHF-NCVPRIERSA-L 		Coalpha-[alpha-(5-hydroxybenzimidazolyl)]-cob(I)amide
5-hydroxybenzimidazolyl cobamide
5-hydroxybenzimidazolylcob(I)amide
5-hydroxybenzimidazolylcobamide
cobalamin-HBI

chebi:12135
chebi:20580
chebi:2067 		secondary/obsolete/fantasy identifier