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bis(molybdenum cofactor)

MNXM147053 is deprecated and here replaced by MNXM1101269
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1101269 Image of MNXM1101269
referencemetacycM:CPD-15874
formulaC20H20MoN10O13P2S4
global charge-4
mol weight894.593
InChIKeyIHRHKHANGAHFPM-BURDSJQCSA-F
InChIInChI=1S/2C10H14N5O6PS2.Mo.O/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;;+4;/p-8/t2*2-,3+,9-;;/m11../s1
SMILESNC1=NC2=C(N[C@H]3C4=C(S[Mo]5(=O)(SC6=C(S5)[C@@H]5NC7=C(N=C(N)NC7=O)N[C@@H]5O[C@@H]6COP(=O)([O-])[O-])S4)[C@@H](COP(=O)([O-])[O-])O[C@H]3N2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/2C10H14N5O6PS2.Mo.O/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;;+4;/t2*2-,3+,9-;;/m11../s1 Image of MNXM1101269
SMILES (mnx)[CH2:1]([C@@H:2]1[C:5]([SH:23])=[C:6]([SH:24])[C@H:3]2[C@H:9]([NH:13][C:7]3=[C:4]([C:8]([OH:16])=[N:15][C:10](=[NH:11])[NH:14]3)[NH:12]2)[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19].[CH2:25]([C@@H:26]1[C:29]([SH:47])=[C:30]([SH:48])[C@H:27]2[C@H:33]([NH:37][C:31]3=[C:28]([C:32]([OH:40])=[N:39][C:34](=[NH:35])[NH:38]3)[NH:36]2)[O:45]1)[O:44][P:46]([OH:41])([OH:42])=[O:43].[Mo+4:49].[O:50]
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-15874
metacycM:CPD-15874
IHRHKHANGAHFPM-BURDSJQCSA-F 		bis(molybdenum cofactor)
bis(molybdopterin)molybdenum
bis(molybdopterin)molybdenum cofactor
bis-MPT
bis-Mo-MPT

seed.compound:cpd33647
seedM:cpd33647
IHRHKHANGAHFPM-BURDSJQCSA-F 		bis(molybdenum cofactor)
bis(molybdopterin)molybdenum
bis(molybdopterin)molybdenum cofactor
bis-MPT

seedM:M_cpd33647 		secondary/obsolete/fantasy identifier