**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

2-hydroxybenzoyl-5'-AMP

Properties Image MNX_ID MNXM7760 reference chebi:86458 formula C17H17N5O9P global charge -1 mol weight 466.323 InChIKey AESBJQJIAHTCHE-XNIJJKJLSA-M InChI InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1 SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)c2ccccc2O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1 SMILES (mnx) [CH2:1]([N:21]([NH:19][O:23][C@H:14]1[CH2:13][C@@H:12]([CH:11]2[c:7]3[cH:6][cH:5][cH:4][c:3]([CH3:2])[c:8]3[CH:9]=[CH:10]2)[C@H:17]([NH2:18])[C@H:15]1[CH3:16])(=[NH:20])[NH2:22])[O:31]([O:27]1=[O:28]([PH2:32])[O:25]=[O:24][O:26]=[O:29]1)=[O:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
CHEBI:86458 chebi:86458 AESBJQJIAHTCHE-XNIJJKJLSA-M	2-hydroxybenzoyl-5'-AMP 2-hydroxybenzoyl-AMP(1-) 5'-O-{[(2-hydroxybenzoyl)oxy]phosphinato}adenosine salicyl-AMP(1-)
kegg.compound:C22233 keggC:C22233 AESBJQJIAHTCHE-XNIJJKJLSA-N	(Salicyl)adenylate (2-Hydroxybenzoyl)adenylate 2-Hydroxybenzoyl-AMP
metacyc.compound:CPD-12084 metacycM:CPD-12084 AESBJQJIAHTCHE-XNIJJKJLSA-M	(salicyl)adenylate
CHEBI:86457 chebi:86457 AESBJQJIAHTCHE-XNIJJKJLSA-N	2-hydroxybenzoyl-AMP 2-hydroxybenzoyl adenylate 5'-O-{hydroxy[(2-hydroxybenzoyl)oxy]phosphoryl}adenosine salicyl adenylate salicyl-AMP
seed.compound:cpd23224 seedM:cpd23224 AESBJQJIAHTCHE-XNIJJKJLSA-M	salicylate-adenylate (salicyl)adenylate
keggC:M_C22233 seedM:M_cpd23224	secondary/obsolete/fantasy identifier