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cob(I)alamin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104756

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	11

formula

C₆₂H₈₈CoN₁₃O₁₄P

charge

-1

mass

1328.56487

reference

chebi:60488

InChIKey

OMAOKVYASDIYQG-DSRCUDDDSA-L

InChI

InChI=1S/C62H90N13O14P.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);/q;+1/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-4]753[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
CHEBI:60488 chebi:60488	cob(I)alamin cob(I)alamin(1-)
seed.compound:cpd00635 seedM:cpd00635	Cbl B12 B12s Cob(I)alamin Vitamin B12s cbl1 cob(I)alamin cobalamin vitamin B12 vitamin B12s
bigg.metabolite:cbl1 biggM:cbl1	Cob(I)alamin
hmdb:HMDB0003429	Cob(I)alamin (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)-15,46-dihydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-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)-1,1,1,1-tetrauide Cyanocobalamin Hydrido-cobalamin Hydridocobalamin Vitamin b-12S Vitamin b12S
sabiork.compound:5278 sabiorkM:5278 kegg.compound:C00853 keggC:C00853	Cob(I)alamin Cbl Vitamin B12s
metacyc.compound:COB-I-ALAMIN metacycM:COB-I-ALAMIN	cob(I)alamin B12s cobalamin
reactome:R-ALL-3149496 reactomeM:R-ALL-3149496 reactome:R-ALL-3159260 reactomeM:R-ALL-3159260 CHEBI:15982 chebi:15982	cob(I)alamin Cob(I)alamin Vitamin B12s vitamin B-12s
hmdb:HMDB0006470 hmdb:HMDB03429 hmdb:HMDB06470 chebi:14004 chebi:23328 chebi:3784 biggM:M_cbl1 keggC:M_C00853 seedM:M_cpd00635	secondary/obsolete/fantasy identifier