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adenosylcob(III)yrate

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1380859 Image of MNXM1380859 Image of MNXM1380859
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
formulaC55H76CoN15O11
charge0
mass1182.24
referencechebi:58504
InChIKeyAXZSUSWNAXMBBB-NQYRMHKHSA-L
InChIInChI=1S/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;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,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/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:30](=[NH2+:47])[OH:57])[C:41]([CH3:3])([CH3:4])[C:28](=[N:53]2)[CH:18]=[C:27]2[C@@H:23]([CH2:9][CH2:12][C:29]([NH-:46])=[O:56])[C@:43]([CH3:6])([CH2:19][C:33](=[NH:50])[OH:60])[C:39](=[N:52]2)[C:22]([CH3:2])=[C:37]2[C@@H:25]([CH2:11][CH2:14][C:31](=[NH:48])[OH:58])[C@:44]([CH3:7])([CH2:20][C:34](=[NH:51])[OH:61])[C@:45]([CH3:8])([C@H:40]3[C@H:26]([CH2:17][C:32](=[NH:49])[OH:59])[C@@:42]([CH3:5])([CH2:16][CH2:15][C:35](=[O:62])[OH:63])[C:38]1=[N:54]3)[NH:55]2.[Co+2:82]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58504
chebi:58504 		adenosylcob(III)yrate
adenosylcobyrate
kegg.compound:C06507
keggC:C06507 		Adenosyl cobyrinate hexaamide
Adenosylcobyric acid
seed.compound:cpd03917
seedM:cpd03917 		Adenosylcobyric acid
Adenosyl cobyrinate hexaamide
adcobhex
adenosyl-cobyrate
adenosyl-cobyric acid
adenosylcobyrate
adenosylcobyric acid
vmhM:adcobhex
vmhM:adcobhex
vmhmetabolite:adcobhex
vmhmetabolite:adcobhex 		adenosyl-cobyric acid
{[(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-(carb
CHEBI:2483
chebi:2483 		adenosylcobyric acid
5'-deoxy-5'-adenosylcobyric acid
Adenosyl cobyrinate hexaamide
Adenosylcobyric acid
keggC:M_C06507
seedM:M_cpd03917 		secondary/obsolete/fantasy identifier