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adenosylcob(III)yrinate a,c-diamide

MNXM92086 is deprecated and here replaced by MNXM735498
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735498

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	3

formula

C₅₅H₆₈CoN₁₁O₁₅

charge

-4

mass

1181.42502

reference

chebi:58503

InChIKey

OCNLJCZKGHKJGF-NQYRMHKHSA-H

InChI

InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1

SMILES

C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N([Co+]C[C@H]5O[C@@H](n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)[C@H]([C@H](CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])[C@]4(C)N=C1[C@@H](CCC(=O)[O-])[C@]4(C)CC(N)=O)[C@@H](CCC(=O)[O-])C3(C)C)[C@@H](CCC(=O)[O-])[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58503 chebi:58503	adenosylcob(III)yrinate a,c-diamide adenosylcob(III)yrinate a,c-diamide(4-)
kegg.compound:C06506 keggC:C06506	Adenosyl cobyrinate a,c diamide Adenosyl cobyrinate diamide Adenosylcob(III)yrinic acid a,c-diamide Adenosylcobyrinic acid a,c-diamide
seed.compound:cpd03916 seedM:cpd03916	Adenosyl cobyrinate diamide Adenosyl cobyrinate a,c diamide Adenosylcob(III)yrinic acid a,c-diamide Adenosylcobyrinic acid a,c-diamide aAdenosylcobyrinic acid a,c-diamide adcobdam adenosyl cobyrinate diamide adenosyl-cob(III)yrinate a,c-diamide adenosyl-cobyrinate a,c-diamide adenosyl-cobyrinic acid a,c-diamide adenosylcob(III)yrinic acid a,c-diamide
hmdb:HMDB0001083	Adenosyl cobyrinic acid a,c diamide Adenosyl cobyrinate a,c diamide Adenosyl cobyrinate diamide Adenosyl cobyrinic acid diamide Adenosylcob(III)yrinate a,c-diamide Adenosylcobyrinate a,c-diamide Adenosylcobyrinic acid a,c-diamide {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium {[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium
metacyc.compound:CPD-690 metacycM:CPD-690	adenosyl-cob(III)yrinate a,c-diamide aAdenosylcobyrinic acid a,c-diamide adenosyl cobyrinate diamide adenosyl-cobyrinate a,c-diamide adenosyl-cobyrinic acid a,c-diamide adenosylcob(III)yrinic acid a,c-diamide
hmdb:HMDB0060429	adenosylcob(III)yrinic acid a,c-diamide Adenosyl cobyrinate a,c diamide Adenosyl cobyrinate diamide Adenosyl cobyrinic acid a,c diamide Adenosyl cobyrinic acid diamide Adenosylcob(III)yrinate a,c-diamide Adenosylcobyrinate a,c-diamide Adenosylcobyrinic acid a,c-diamide {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium {[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium
CHEBI:2482 chebi:2482	adenosylcob(III)yrinic acid a,c-diamide Adenosyl cobyrinate a,c diamide Adenosyl cobyrinate diamide Adenosylcob(III)yrinic acid a,c-diamide Adenosylcobyrinic acid a,c-diamide
hmdb:HMDB01083 hmdb:HMDB60429 keggC:M_C06506 seedM:M_cpd03916	secondary/obsolete/fantasy identifier