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cyanocob(III)alamin

MNXM93290 is deprecated and here replaced by MNXM741521
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM741521

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₆₃H₈₈CoN₁₄O₁₄P

charge

mass

1354.5674

reference

chebi:17439

InChIKey

RMRCNWBMXRMIRW-WZHZPDAFSA-L

InChI

InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

SMILES

CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-3]753(C#N)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3149505 reactomeM:R-ALL-3149505 CHEBI:17439 chebi:17439	cyanocob(III)alamin CN-Cbl CO-CYANOCOBALAMIN Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide Cyanocob(III)alamin Dicopac Vitamin B12 complex cyanocobalamin vitamin B-12
sabiork.compound:2540 sabiorkM:2540	Cyanocob(III)alamin Cyanocobalamin Dicopac Vitamin B12 complex
kegg.drug:D00166 keggD:D00166	Cyanocobalamin (JP18/USP/INN) Cyomin (TN) Nascobal (TN) Rubramin PC (TN)
kegg.compound:C02823 keggC:C02823	Cyanocobalamin Cyanocob(III)alamin Dicopac Vitamin B12 complex
seed.compound:cpd01826 seedM:cpd01826	Dicopac Cyanocob(III)alamin Cyanocobalamin Vitamin B12 complex alphamine crystamine cyanocob(III)alamin cyanocobalamin cyanoject cyomin cytamen hydrobexan rubesol rubramin
metacyc.compound:CPD-315 metacycM:CPD-315	cyanocob(III)alamin Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide alphamine crystamine cyanocobalamin cyanoject cyomin cytamen hydrobexan rubesol rubramin vitamin B12
chebi:14041 chebi:23435 chebi:3979 chebi:48820 chebi:60496 keggC:M_C02823 keggD:M_D00166 seedM:M_cpd01826	secondary/obsolete/fantasy identifier