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CHEBI:112505 - 2-amino-3-hydroxy-4-methylbenzoyl-AMP

ChEBI IDCHEBI:112505
ChEBI Name2-amino-3-hydroxy-4-methylbenzoyl-AMP
Stars
DefinitionAn acyclic mixed acid anhydride that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of 2-amino-3-hydroxy-4-methylbenzoic acid.
Last Modified12 April 2016
DownloadsMolfile
FormulaC18H21N6O9P
Net Charge0
Average Mass496.373
Monoisotopic Mass496.11076
SMILESCc1ccc(C(=O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(N)c1O
InChIInChI=1S/C18H21N6O9P/c1-7-2-3-8(10(19)12(7)25)18(28)33-34(29,30)31-4-9-13(26)14(27)17(32-9)24-6-23-11-15(20)21-5-22-16(11)24/h2-3,5-6,9,13-14,17,25-27H,4,19H2,1H3,(H,29,30)(H2,20,21,22)/t9-,13-,14-,17-/m1/s1
InChIKeyLDDGYUIUMXQXGN-KRQFVHPKSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium sibiricum (ncbitaxon:457432) - PubMed (21612226)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) has functional parent 3-hydroxy-4-methylanthranilic acid (CHEBI:16116)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) has role bacterial metabolite (CHEBI:76969)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) is a acyclic mixed acid anhydride (CHEBI:37787)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) is conjugate acid of 2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−) (CHEBI:91232)
Incoming Relation(s)
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−) (CHEBI:91232) is conjugate base of 2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505)
IUPAC Name 
5'-O-{[(2-amino-3-hydroxy-4-methylbenzoyl)oxy](hydroxy)phosphoryl}adenosine
Synonyms  Source
2-amino-3-hydroxy-4-methylbenzoyladenylateChEBI
3-hydroxy-4-methylanthraniloyl-AMPChEBI
Manual XrefsDatabases
CPD-18448MetaCyc
Registry NumbersSources
Reaxys:21433371Reaxys
Citations