CHEBI:188483 - 4-bromobenzoyl-AMP(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-bromobenzoyl-AMP(1−)
ChEBI ID CHEBI:188483
ChEBI ASCII Name 4-bromobenzoyl-AMP(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 4-bromobenzoyl-AMP; major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C17H16BrN5O8P
Net Charge -1
Average Mass 529.220
Monoisotopic Mass 527.99254
InChI InChI=1S/C17H17BrN5O8P/c18-9-3-1-8(2-4-9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,27,28)(H2,19,20,21)/p-1/t10-,12-,13-,16-/m1/s1
InChIKey UNYUFSAPNRYHMK-XNIJJKJLSA-M
SMILES NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C4=CC=C(C=C4)Br)=O)[O-])[C@@H](O)[C@H]3O
ChEBI Ontology
Outgoing 4-bromobenzoyl-AMP(1−) (CHEBI:188483) has functional parent 4-bromobenzoate (CHEBI:188472)
4-bromobenzoyl-AMP(1−) (CHEBI:188483) has functional parent adenosine 5'-monophosphate(2−) (CHEBI:456215)
4-bromobenzoyl-AMP(1−) (CHEBI:188483) is a organophosphate oxoanion (CHEBI:58945)
Synonyms Sources
4-bromobenzoyl-AMP UniProt
p-bromobenzoyl-AMP(1−) SUBMITTER