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adenosylcob(III)inamide-GDP

Properties

Image

Occurences in reactions

MNX_ID

MNXM1364259

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	10

formula

C₆₈H₉₅CoN₂₁O₂₁P₂

charge

-1

mass

1663.513

reference

chebi:60487

InChIKey

IQTYKHRKNGVJEO-RRMAJTJESA-K

InChI

InChI=1S/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-3/t25-,28-,29-,30-,31+,33-,45-,46-,49-,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1

SMILES

[CH2:95][C@@H:98]1[C@@H:100]([OH:110])[C@@H:101]([OH:111])[C@H:104]([n:109]2[cH:97][n:108][c:99]3[c:102]([NH2:105])[n:106][cH:96][n:107][c:103]32)[O:112]1.[CH3:1][C@H:25]([CH2:22][N:66]=[C:41]([CH2:16][CH2:17][C@:55]1([CH3:6])[C@@H:31]([CH2:18][C:38](=[NH:62])[OH:78])[C@@H:49]2[C@@:58]3([CH3:9])[C@@:57]([CH3:8])([CH2:21][C:40](=[NH:64])[OH:80])[C@H:30]([CH2:12][CH2:15][C:37](=[NH:61])[OH:77])[C:43](=[C:27]([CH3:3])[C:48]4=[N:68][C:32](=[CH:19][C:34]5=[N:69][C:42](=[C:26]([CH3:2])[C:47]1=[N:70]2)[C@@H:29]([CH2:11][CH2:14][C:36](=[NH:60])[OH:76])[C:54]5([CH3:4])[CH3:5])[C@@H:28]([CH2:10][CH2:13][C:35](=[NH:59])[O-:75])[C@:56]4([CH3:7])[CH2:20][C:39](=[NH:63])[OH:79])[NH:73]3)[OH:81])[O:91][P:94](=[O:87])([OH:88])[O:92][P:93](=[O:85])([OH:86])[O:89][CH2:23][C@@H:33]1[C@@H:45]([OH:82])[C@@H:46]([OH:83])[C@H:52]([n+:74]2[cH:24][nH:67][c:44]3[c:50]2[nH:71][c:53](=[NH:65])[n:72][c:51]3[OH:84])[O:90]1.[Co+2:113]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60487 chebi:60487	adenosylcob(III)inamide-GDP adenosine-GDP-cobinamide(1-) adenosylcobinamide guanosyl diphosphate(1-) adenosylcobinamide-GDP(1-)
bigg.metabolite:agdpcbi biggM:agdpcbi	Adenosine-GDP-cobinamide
vmhM:agdpcbi vmhmetabolite:agdpcbi	Adenosine-GDP-cobinamide (3R,4S,5S,9S,10S,15S,19R,20R,21R)-19-(2-{[(2R)-2-({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)pho
sabiork.compound:2898 sabiorkM:2898 kegg.compound:C06510 keggC:C06510	Adenosine-GDP-cobinamide Adenosylcobinamide-GDP
hmdb:HMDB0012185	Adenosylcobinamide-GDP (3R,4S,5S,9S,10S,15S,19R,20R,21R)-19-(2-{[(2R)-2-({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)propyl]carbamoyl}ethyl)-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)-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)-19-(2-{[(2R)-2-[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-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)-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 Adenosine-GDP-cobinamide
seed.compound:cpd03920 seedM:cpd03920	Adenosylcobinamide-GDP Adenosine-GDP-cobinamide adenosylcobinamide-GDP agdpcbi
CHEBI:2479 chebi:2479	adenosylcobinamide guanosyl diphosphate Adenosine-GDP-cobinamide Adenosylcobinamide-GDP
hmdb:HMDB12185 biggM:M_agdpcbi keggC:M_C06510 seedM:M_cpd03920	secondary/obsolete/fantasy identifier