CHEBI:188503 - 2-methylbenzoyl-AMP(1−)

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ChEBI Name 2-methylbenzoyl-AMP(1−)
ChEBI ID CHEBI:188503
ChEBI ASCII Name 2-methylbenzoyl-AMP(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-methylbenzoyl-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 C18H19N5O8P
Net Charge -1
Average Mass 464.351
Monoisotopic Mass 464.09767
InChI InChI=1S/C18H20N5O8P/c1-9-4-2-3-5-10(9)18(26)31-32(27,28)29-6-11-13(24)14(25)17(30-11)23-8-22-12-15(19)20-7-21-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H,27,28)(H2,19,20,21)/p-1/t11-,13-,14-,17-/m1/s1
InChIKey JWKLOPHSAHYUME-LSCFUAHRSA-M
SMILES NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C4=C(C=CC=C4)C)=O)[O-])[C@@H](O)[C@H]3O
ChEBI Ontology
Outgoing 2-methylbenzoyl-AMP(1−) (CHEBI:188503) has functional parent o-toluate (CHEBI:28872)
2-methylbenzoyl-AMP(1−) (CHEBI:188503) has functional parent adenosine 5'-monophosphate(2−) (CHEBI:456215)
2-methylbenzoyl-AMP(1−) (CHEBI:188503) is a organophosphate oxoanion (CHEBI:58945)
Synonyms Sources
2-methylbenzoyl-AMP UniProt
o-methylbenzoyl-AMP(1−) SUBMITTER
o-tolyl-AMP(1−) SUBMITTER