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adenylyl-molybdopterin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3054

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

formula

C₂₀H₂₃N₁₀O₁₂P₂S₂

charge

-3

mass

721.043

reference

chebi:62727

InChIKey

XJXFAXLUOKQPAQ-YPRLVJTJSA-K

InChI

InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/p-3/t5-,6-,7+,10-,11-,18-,19-/m1/s1

SMILES

Nc1nc2c(c(=O)[nH]1)N[C@H]1C(S)=C([S-])[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O[C@H]1N2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62727 chebi:62727	adenylyl-molybdopterin 5'-O-{[({[(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphinato)oxy]phosphinato}adenosine MPT-AMP(3-) adenylated molybdopterin(3-) adenylyl-molybdopterin(3-) molybdopterin adenine dinucleotide(3-)
bigg.metabolite:mptamp biggM:mptamp	Adenylated molybdopterin
kegg.compound:C19848 keggC:C19848	Adenylated molybdopterin Adenylyl-molybdopterin
seed.compound:cpd21090 seedM:cpd21090	Adenylated molybdopterin Adenylyl-molybdopterin H2Dtpp-mADP adenylated molybdopterin adenylyl-molybdopterin molybdopterin-AMP
hmdb:HMDB0059628	Adenylyl-molybdopterin Adenylated molybdopterin H2Dtpp-mADP MPT-AMP Molybdopterin adenine dinucleotide Molybdopterin-AMP mpt-amp {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl]methoxy}[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
CHEBI:62728 chebi:62728	molybdopterin adenine dinucleotide 5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine MPT-AMP adenylated molybdopterin adenylyl-molybdopterin
metacyc.compound:CPD-8122 metacycM:CPD-8122	molybdopterin adenine dinucleotide H2Dtpp-mADP adenylated molybdopterin adenylyl-molybdopterin molybdopterin-AMP
hmdb:HMDB59628 biggM:M_mptamp keggC:M_C19848 seedM:M_cpd21090	secondary/obsolete/fantasy identifier