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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)	13
in models (compartimentalized)	3

formula

C₁₇H₁₇N₅O₁₀P

charge

-1

mass

482.321

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

[cH:1]1[cH:2][c:7]([C:17](=[O:27])[O:32][P:33]([OH:28])(=[O:29])[O:30][CH2:4][C@@H:9]2[C@@H:12]([OH:25])[C@@H:13]([OH:26])[C@H:16]([n:22]3[cH:6][n:21][c:10]4[c:14]([NH2:18])[n:19][cH:5][n:20][c:15]43)[O:31]2)[c:11]([OH:24])[c:8]([OH:23])[cH:3]1

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 vmhM:23dhba vmhmetabolite:23dhba	(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