Feedback

methylcob(III)alamin

Properties

Image

Occurences in reactions

MNX_ID

MNXM727391

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	3

formula

C₆₃H₉₁CoN₁₃O₁₄P

charge

mass

1343.5878

reference

chebi:28115

InChIKey

JEWJRMKHSMTXPP-WZHZPDAFSA-L

InChI

InChI=1S/C62H90N13O14P.CH3.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;;/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);1H3;/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+]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-3149508 reactomeM:R-ALL-3149508 CHEBI:28115 chebi:28115	methylcob(III)alamin CO-METHYLCOBALAMIN Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-methylcobamide MeCbl Methylcobalamin mecobalamin methylcobalamin
bigg.metabolite:C06453 biggM:C06453 sabiork.compound:8643 sabiorkM:8643	Methylcobalamin
hmdb:HMDB0002274	Methylcobalamin (10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1,1-triuid-15-olate CO-METHYLCOBALAMIN MeCbl Mecobalamin Methyl(III)cobalamin Methylcob(III)alamin
kegg.compound:C06453 keggC:C06453	Methylcobalamin Methylcob(III)alamin
seed.compound:cpd12878 seedM:cpd12878	Methylcobalamin algobaz cobamet cobametin mecobalamin methyl cobalamine methyl-B12 methylcob(III)alamin methylcobalamin vancomin
metacyc.compound:CPD-9037 metacycM:CPD-9037	methylcob(III)alamin algobaz cobamet cobametin mecobalamin methyl cobalamine methylcobalamin vancomin
hmdb:HMDB02274 chebi:25291 chebi:48831 chebi:6869 biggM:M_C06453 keggC:M_C06453 seedM:M_cpd12878	secondary/obsolete/fantasy identifier