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CHEBI:91232 - 2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−)

ChEBI IDCHEBI:91232
ChEBI Name2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−)
Stars
ASCII Name2-amino-3-hydroxy-4-methylbenzoyl-AMP(1-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-amino-3-hydroxy-4-methylbenzoyl-AMP; the major species at pH 7.3.
Last Modified23 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H20N6O9P
Net Charge-1
Average Mass495.365
Monoisotopic Mass495.10349
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)/p-1/t9-,13-,14-,17-/m1/s1
InChIKeyLDDGYUIUMXQXGN-KRQFVHPKSA-M
ChEBI Ontology
Outgoing Relation(s)
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−) (CHEBI:91232) is a organophosphate oxoanion (CHEBI:58945)
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−) (CHEBI:91232) is conjugate base of 2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505)
Incoming Relation(s)
2-amino-3-hydroxy-4-methylbenzoyl-AMP (CHEBI:112505) is conjugate acid of 2-amino-3-hydroxy-4-methylbenzoyl-AMP(1−) (CHEBI:91232)
IUPAC Name 
5'-O-{[(2-amino-3-hydroxy-4-methylbenzoyl)oxy]phosphinato}adenosine
Synonyms  Source
2-amino-3-hydroxy-4-methylbenzoyladenylate(1−)ChEBI
3-hydroxy-4-methylanthraniloyl-AMP(1−)ChEBI
UniProt Name  Source
3-hydroxy-4-methylanthranilyl-5'-AMPUniProt
Manual XrefsDatabases
CPD-18448MetaCyc
Citations