CHEBI:156046 - benzoyl-AMP

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ChEBI Name benzoyl-AMP
ChEBI ID CHEBI:156046
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H18N5O8P
Net Charge 0
Average Mass 451.332
Monoisotopic Mass 451.08930
InChI InChI=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
InChIKey PTJTVELTWZMHPG-XNIJJKJLSA-N
SMILES NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C4=CC=CC=C4)=O)O)[C@@H](O)[C@H]3O
ChEBI Ontology
Outgoing 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 benzoyl-AMP(1−) (CHEBI:149705) is conjugate base of benzoyl-AMP (CHEBI:156046)
IUPAC Name
5'-O-[(benzoyloxy)(hydroxy)phosphoryl]adenosine
Synonyms Sources
5'-adenylic acid benzoyl ester ChEBI
5'-benzoylphosphoadenosine KEGG COMPOUND
benzoic acid AMP ester ChEBI
benzoyl adenylate ChEBI
benzoyl-AMP ChEBI
Bz-AMP ChEBI
Manual Xrefs Databases
C06433 KEGG COMPOUND
OOB PDBeChem
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Last Modified
01 July 2020