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2-hydroxybenzoyl-5'-AMP

PropertiesImage
MNX_IDMNXM7760 Image of MNXM7760
referencechebi:86458
formulaC17H17N5O9P
global charge-1
mol weight466.323
InChIKeyAESBJQJIAHTCHE-XNIJJKJLSA-M
InChIInChI=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
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)C2=C(O)C=CC=C2)[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 Image of MNXM7760
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

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