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2,3-dihydroxybenzoyl-5'-AMP

Properties

Image

Occurences in reactions

MNX_ID

MNXM1978

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	2

formula

C₁₇H₁₇N₅O₁₀P

charge

-1

mass

482.318341

reference

chebi:57417

InChIKey

ULPVJDOMCRTJSN-RVXWVPLUSA-M

InChI

InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/p-1/t9-,12-,13-,16-/m1/s1

SMILES

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57417 chebi:57417	2,3-dihydroxybenzoyl-5'-AMP 2,3-dihydroxybenzoyl 5'-adenylate(1-) 5'-O-{[(2,3-dihydroxybenzoyl)oxy]phosphinato}adenosine
bigg.metabolite:23dhba biggM:23dhba kegg.compound:C04030 keggC:C04030	(2,3-Dihydroxybenzoyl)adenylate
seed.compound:cpd02494 seedM:cpd02494	(2,3-Dihydroxybenzoyl)adenylate (2,3-dihydroxybenzoyl)adenylate 2,3-dihydroxybenzoyl adenylate 2,3-dihydroxybenzoyl-AMP 23dhba
metacyc.compound:CPD-62 metacycM:CPD-62	(2,3-dihydroxybenzoyl)adenylate 2,3-dihydroxybenzoyl adenylate 2,3-dihydroxybenzoyl-AMP
CHEBI:15572 chebi:15572	2,3-dihydroxybenzoyl 5'-adenylate (2,3-Dihydroxybenzoyl)adenylate adenosine 5'-(2,3-dihydroxybenzoyl hydrogen phosphate)
chebi:10846 chebi:170 chebi:18521 biggM:M_23dhba keggC:M_C04030 seedM:M_cpd02494	secondary/obsolete/fantasy identifier