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adenosylcob(III)yrinate a,c-diamide

Properties

Image

Occurences in reactions

MNX_ID

MNXM1377564

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	3

formula

C₅₅H₆₈CoN₁₁O₁₅

charge

-4

mass

1182.144

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

[CH2:64][C@@H:67]1[C@@H:69]([OH:79])[C@@H:70]([OH:80])[C@H:73]([n:78]2[cH:66][n:77][c:68]3[c:71]([NH2:74])[n:75][cH:65][n:76][c:72]32)[O:81]1.[CH3:1][C:21]1=[C:36]2[C@@H:24]([CH2:10][CH2:13][C:32](=[O:56])[OH:57])[C:41]([CH3:3])([CH3:4])[C:28](=[N:49]2)[CH:18]=[C:27]2[C@@H:23]([CH2:9][CH2:12][C:31](=[O:54])[OH:55])[C@:43]([CH3:6])([CH2:19][C:29]([NH-:46])=[O:52])[C:39](=[N:48]2)[C:22]([CH3:2])=[C:37]2[C@@H:25]([CH2:11][CH2:14][C:33](=[O:58])[OH:59])[C@:44]([CH3:7])([CH2:20][C:30](=[NH2+:47])[OH:53])[C@:45]([CH3:8])([C@H:40]3[C@H:26]([CH2:17][C:35](=[O:62])[OH:63])[C@@:42]([CH3:5])([CH2:16][CH2:15][C:34](=[O:60])[OH:61])[C:38]1=[N:50]3)[NH:51]2.[Co+2:82]

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
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 keggC:M_C06506 seedM:M_cpd03916	secondary/obsolete/fantasy identifier