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adenosylcob(III)inamide

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103715

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	12

formula

C₅₈H₈₄CoN₁₆O₁₁

charge

mass

1239.58319

reference

chebi:2480

InChIKey

KQXSPGAEBZWHMC-QMUWONGRSA-M

InChI

InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1

SMILES

CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@H]([C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)O)[C@]6(C)[N+](=C1[C@@H](CCC(N)=O)[C@]6(C)CC(N)=O)[Co-2]753C[C@H]1O[C@@H](n3cnc5c(N)ncnc53)[C@H](O)[C@@H]1O)[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:2480 chebi:2480	adenosylcob(III)inamide 5'-deoxy-5'-adenosylcobinamide Adenosyl cobinamide adenosylcobinamide
bigg.metabolite:adocbi biggM:adocbi	Adenosyl cobinamide
hmdb:HMDB0006903	Adenosyl cobinamide (3R,4S,5S,9S,10S,15S,19R,20R,21R)-1-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-5,10,15-tris(2-carbamoylethyl)-4,9,20-tris(carbamoylmethyl)-19-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-3,4,7,9,14,14,17,19-octamethyl-2lambda5,22,23lambda5,24lambda5-tetraaza-1-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaene-2,23,24-tris(ylium)-1,1-diuide (3R,4S,5S,9S,10S,15S,19R,20R,21R)-1-{[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-5,10,15-tris(2-carbamoylethyl)-4,9,20-tris(carbamoylmethyl)-19-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-3,4,7,9,14,14,17,19-octamethyl-2lambda5,22,23lambda5,24lambda5-tetraaza-1-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaene-2,23,24-tris(ylium)-1,1-diuide 5'-Deoxy-5'-adenosylcobinamide Adenosylcob(III)inamide
kegg.compound:C06508 keggC:C06508	Adenosyl cobinamide Adenosylcobinamide
seed.compound:cpd03918 seedM:cpd03918	Adenosyl cobinamide Adenosylcobinamide AdoCbi adenosylcobinamide adocbi
metacyc.compound:ADENOSYLCOBINAMIDE metacycM:ADENOSYLCOBINAMIDE	adenosylcobinamide AdoCbi
hmdb:HMDB0006964 hmdb:HMDB06903 hmdb:HMDB06964 biggM:M_adocbi keggC:M_C06508 seedM:M_cpd03918	secondary/obsolete/fantasy identifier