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2-hydroxybenzoyl-5'-AMP

Properties

Image

Occurences in reactions

MNX_ID

MNXM7760

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	2

formula

C₁₇H₁₇N₅O₉P

charge

-1

mass

466.322

reference

chebi:86458

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

[cH:1]1[cH:2][cH:4][c:9]([OH:23])[c:8]([C:17](=[O:26])[O:31][P:32]([OH:27])(=[O:28])[O:29][CH2:5][C@@H:10]2[C@@H:12]([OH:24])[C@@H:13]([OH:25])[C@H:16]([n:22]3[cH:7][n:21][c:11]4[c:14]([NH2:18])[n:19][cH:6][n:20][c:15]43)[O:30]2)[cH:3]1

Parent-child relations graph

Deprecated MNXref IDs graph

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