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thio-Mo-molybdopterin

MNXM93955 is deprecated and replaced by MNXM570908
PropertiesImage
MNX_IDMNXM570908 Image of MNXM570908
referencechebi:82685
formulaC10H10MoN5O8PS3
global charge-4
mol weight551.332
InChIKeyQLTSCNIIDNTDKD-BKZHXLINSA-J
InChIInChI=1S/C10H14N5O6PS2.Mo.2O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;;/q;+1;;-1;/p-4/t2-,3+,9-;;;;/m1..../s1
SMILESNC1=NC2=C(N[C@H]3C4=C(S[Mo-](=O)([O-])(=S)S4)[C@@H](COP(=O)([O-])[O-])O[C@H]3N2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C10H14N5O6PS2.Mo.2O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;;/q;+1;;-1;/t2-,3+,9-;;;;/m1..../s1 Image of MNXM570908
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].[Mo+:25].[O-:27].[O:26].[S:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:82685
chebi:82685
QLTSCNIIDNTDKD-BKZHXLINSA-J 		thio-Mo-molybdopterin
Mo(=O)(=S)(-OH)-molybdopterin cofactor(4-)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4-)
MoOS(OH)Dtpp-mP(4-)
moco (sulfide)(4-)
molybdenum cofactor (sulfide)(4-)
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(4-) phosphate}(dioxido)(sulfido)molybdate(4-)

metacyc.compound:CPD-8124
metacycM:CPD-8124
QNGJROMMAHOOFQ-JSUDGWJLSA-J 		Mo(O)(S)-molybdopterin cofactor
Mo(=O)(=S)-molybdopterin cofactor
MoOS(OH)Dtpp-mP
moco (sulfide)
molybdenum cofactor (sulfide)
thio-molybdenum cofactor

CHEBI:83233
chebi:83233
KXSHYYUBHQXNRZ-BKZHXLINSA-K 		Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor
Mo(=O)(=S)(-OH)-molybdopterin cofactor
MoOS(OH)-molybdopterin cofactor
MoOS(OH)Dtpp-mP
moco (sulfide)
molybdenum cofactor (sulfide)
thiomolybdopterin cofactor
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)(oxido)(sulfido)molybdate(1-)

seed.compound:cpd25050
seedM:cpd25050
QNGJROMMAHOOFQ-JSUDGWJLSA-J 		MoOS(OH)Dtpp-mP
moco (sulfide)
molybdenum cofactor (sulfide)
thio-molybdenum cofactor

kegg.compound:C21486
keggC:C21486
QNGJROMMAHOOFQ-JSUDGWJLSA-L 		Thio-molybdenum cofactor

keggC:M_C21486
seedM:M_cpd25050 		secondary/obsolete/fantasy identifier