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bis(guanylyl molybdopterin) cofactor

MNXM62267 is deprecated and replaced by MNXM1100857
PropertiesImage
MNX_IDMNXM1100857 Image of MNXM1100857
referencemetacycM:CPD-15873
formulaC40H44MoN20O27P4S4
global charge-4
mol weight1585.009
InChIKeySPLYCLQDZVSNSU-HWCCSRDCSA-F
InChIInChI=1S/2C20H26N10O13P2S2.Mo.O/c2*21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;;/h2*3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;/q;;+4;/p-8/t2*4-,5-,6+,9-,10-,17-,18-;;/m11../s1
SMILESNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@H]4NC5=C(N[C@H]4C4=C3S[Mo]3(=O)(SC6=C(S3)[C@@H]3NC7=C(N=C(N)NC7=O)N[C@@H]3O[C@@H]6COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N6C=NC7=C6N=C(N)NC7=O)[C@H](O)[C@@H]3O)S4)C(=O)NC(N)=N5)[C@@H](O)[C@H]2O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/2C20H26N10O13P2S2.Mo.O/c2*21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;;/h2*3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;/q;;+4;/t2*4-,5-,6+,9-,10-,17-,18-;;/m11../s1 Image of MNXM1100857
SMILES (mnx)[CH2:1]([C@@H:4]1[C@@H:9]([OH:31])[C@@H:10]([OH:32])[C@H:18]([N:30]2[CH:3]=[N:23][C:8]3=[C:14]2[NH:27][C:20](=[NH:22])[N:29]=[C:16]3[OH:34])[O:42]1)[O:39][P:44]([OH:35])(=[O:36])[O:43][P:45]([OH:37])(=[O:38])[O:40][CH2:2][C@@H:5]1[C:11]([SH:46])=[C:12]([SH:47])[C@H:6]2[C@H:17]([NH:25][C:13]3=[C:7]([C:15]([OH:33])=[N:28][C:19](=[NH:21])[NH:26]3)[NH:24]2)[O:41]1.[CH2:48]([C@@H:51]1[C@@H:56]([OH:78])[C@@H:57]([OH:79])[C@H:65]([N:77]2[CH:50]=[N:70][C:55]3=[C:61]2[NH:74][C:67](=[NH:69])[N:76]=[C:63]3[OH:81])[O:89]1)[O:86][P:91]([OH:82])(=[O:83])[O:90][P:92]([OH:84])(=[O:85])[O:87][CH2:49][C@@H:52]1[C:58]([SH:93])=[C:59]([SH:94])[C@H:53]2[C@H:64]([NH:72][C:60]3=[C:54]([C:62]([OH:80])=[N:75][C:66](=[NH:68])[NH:73]3)[NH:71]2)[O:88]1.[Mo+4:95].[O:96]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-15873
metacycM:CPD-15873
SPLYCLQDZVSNSU-HWCCSRDCSA-F 		bis(guanylyl molybdopterin) cofactor
Mo(Dtpp-mGDP)2
Mo-bis(pyranopterin guanosine dinucleotide)
Mo-bisPGD
bis(molybdopterin guanine dinucleotide)molybdenum
bis(molybdopterin guanine dinucleotide)molybdenum cofactor
bis-MGD
mo-bis(molybdopterin guanine dinucleotide)
molybdo-bis(pyranopterin guanine dinucleotide)

seed.compound:cpd35194
seedM:cpd35194
SPLYCLQDZVSNSU-HWCCSRDCSA-F 		Mo(Dtpp-mGDP)2
Mo-bis(pyranopterin guanosine dinucleotide)
Mo-bisPGD
bis(guanylyl molybdopterin) cofactor
bis(molybdopterin guanine dinucleotide)molybdenum
bis(molybdopterin guanine dinucleotide)molybdenum cofactor
bis-MGD
mo-bis(molybdopterin guanine dinucleotide)
molybdo-bis(pyranopterin guanine dinucleotide)

seedM:M_cpd35194 		secondary/obsolete/fantasy identifier