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CHEBI:156046 - benzoyl-AMP

ChEBI IDCHEBI:156046
ChEBI Namebenzoyl-AMP
Stars
DefinitionA purine ribonucleoside 5'-monophosphate that is adenosine 5'-monophosphate in which one of the hydroxy groups of the phosphate has been condensed with the carboxylic acid group of benzoic acid.
Last Modified1 July 2020
SubmitterAdnan
DownloadsMolfile
FormulaC17H18N5O8P
Net Charge0
Average Mass451.332
Monoisotopic Mass451.08930
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H18N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,26,27)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
InChIKeyPTJTVELTWZMHPG-XNIJJKJLSA-N
ChEBI Ontology
Outgoing Relation(s)
benzoyl-AMP (CHEBI:156046) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
benzoyl-AMP (CHEBI:156046) is a benzoate ester (CHEBI:36054)
benzoyl-AMP (CHEBI:156046) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
benzoyl-AMP (CHEBI:156046) is conjugate acid of benzoyl-AMP(1−) (CHEBI:149705)
Incoming Relation(s)
benzoyl-AMP(1−) (CHEBI:149705) is conjugate base of benzoyl-AMP (CHEBI:156046)
IUPAC Name 
5'-O-[(benzoyloxy)(hydroxy)phosphoryl]adenosine
Synonyms  Source
5'-benzoylphosphoadenosineKEGG COMPOUND
5'-adenylic acid benzoyl esterChEBI
benzoyl adenylateChEBI
Bz-AMPChEBI
benzoyl-AMPChEBI
benzoic acid AMP esterChEBI
Manual XrefsDatabases
C06433KEGG COMPOUND
OOBPDBeChem
Citations