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3-hydroxy-4-methylanthranilyl-5'-AMP

PropertiesImage
MNX_IDMNXM162630 Image of MNXM162630
referencechebi:91232
formulaC18H20N6O9P
global charge-1
mol weight495.365
InChIKeyLDDGYUIUMXQXGN-KRQFVHPKSA-M
InChIInChI=1S/C18H21N6O9P/c1-7-2-3-8(10(19)12(7)25)18(28)33-34(29,30)31-4-9-13(26)14(27)17(32-9)24-6-23-11-15(20)21-5-22-16(11)24/h2-3,5-6,9,13-14,17,25-27H,4,19H2,1H3,(H,29,30)(H2,20,21,22)/p-1/t9-,13-,14-,17-/m1/s1
SMILESCC1=C(O)C(N)=C(C(=O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C18H21N6O9P/c1-7-2-3-8(10(19)12(7)25)18(28)33-34(29,30)31-4-9-13(26)14(27)17(32-9)24-6-23-11-15(20)21-5-22-16(11)24/h2-3,5-6,9,13-14,17,25-27H,4,19H2,1H3,(H,29,30)(H2,20,21,22)/t9-,13-,14-,17-/m1/s1 Image of MNXM162630
SMILES (mnx)[CH3:1][C:7]1=[C:12]([OH:25])[C:10]([NH2:19])=[C:8]([C:18](=[O:28])[O:33][P:34]([OH:29])(=[O:30])[O:31][CH2:4][C@@H:9]2[C@@H:13]([OH:26])[C@@H:14]([OH:27])[C@H:17]([N:24]3[CH:6]=[N:23][C:11]4=[C:15]([NH2:20])[N:21]=[CH:5][N:22]=[C:16]43)[O:32]2)[CH:3]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91232
chebi:91232
LDDGYUIUMXQXGN-KRQFVHPKSA-M 		3-hydroxy-4-methylanthranilyl-5'-AMP
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1-)
2-amino-3-hydroxy-4-methylbenzoyladenylate(1-)
3-hydroxy-4-methylanthraniloyl-AMP(1-)
5'-O-{[(2-amino-3-hydroxy-4-methylbenzoyl)oxy]phosphinato}adenosine

kegg.compound:C21460
keggC:C21460
LDDGYUIUMXQXGN-KRQFVHPKSA-N 		(3-Hydroxy-4-methylanthranilyl)adenylate
2-Amino-3-hydroxy-4-methylbenzoyl-AMP
3-Hydroxy-4-methylanthraniloyl-AMP

CHEBI:112505
chebi:112505
LDDGYUIUMXQXGN-KRQFVHPKSA-N 		2-amino-3-hydroxy-4-methylbenzoyl-AMP
2-amino-3-hydroxy-4-methylbenzoyladenylate
3-hydroxy-4-methylanthraniloyl-AMP
5'-O-{[(2-amino-3-hydroxy-4-methylbenzoyl)oxy](hydroxy)phosphoryl}adenosine

metacyc.compound:CPD-18448
metacycM:CPD-18448
seed.compound:cpd34368
seedM:cpd34368
LDDGYUIUMXQXGN-KRQFVHPKSA-M 		3-hydroxy-4-methylanthranilyl-adenylate

keggC:M_C21460
seedM:M_cpd34368 		secondary/obsolete/fantasy identifier