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5-hydroxybenzimidazolylcob(I)amide

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1372249

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

formula

C₆₀H₈₅CoN₁₃O₁₅P

charge

mass

1318.323

reference

chebi:17679

InChIKey

CZOAGDFHXVBGHF-NCVPRIERSA-M

InChI

InChI=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

SMILES

CC1=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+](C5=CC(O)=CC=C52)[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17679 chebi:17679	5-hydroxybenzimidazolylcob(I)amide 5-Hydroxybenzimidazolylcob(I)amide 5-hydroxybenzimidazolylcobamide
CHEBI:60494 chebi:60494	5-hydroxybenzimidazolylcob(I)amide 5-hydroxybenzimidazolylcob(I)amide(1-)
metacyc.compound:5OH-benzimidazolyl-cob-MtrA metacycM:5OH-benzimidazolyl-cob-MtrA	Coalpha-[alpha-(5-hydroxybenzimidazolyl)]-cob(I)amide-[MtrA protein]
metacyc.compound:CPD-7162 metacycM:CPD-7162	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