CHEBI:57417 - 2,3-dihydroxybenzoyl 5'-adenylate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-dihydroxybenzoyl 5'-adenylate(1−)
ChEBI ID CHEBI:57417
ChEBI ASCII Name 2,3-dihydroxybenzoyl 5'-adenylate(1-)
Definition Conjugate base of 2,3-dihydroxybenzoyl 5'-adenylate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H17N5O10P
Net Charge -1
Average Mass 482.31810
Monoisotopic Mass 482.071
InChI InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/p-1/t9-,12-,13-,16-/m1/s1
InChIKey ULPVJDOMCRTJSN-RVXWVPLUSA-M
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing 2,3-dihydroxybenzoyl 5'-adenylate(1−) (CHEBI:57417) is a organophosphate oxoanion (CHEBI:58945)
2,3-dihydroxybenzoyl 5'-adenylate(1−) (CHEBI:57417) is conjugate base of 2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572)
Incoming 2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572) is conjugate acid of 2,3-dihydroxybenzoyl 5'-adenylate(1−) (CHEBI:57417)
IUPAC Name
5'-O-{[(2,3-dihydroxybenzoyl)oxy]phosphinato}adenosine
Synonym Source
2,3-dihydroxybenzoyl 5'-adenylate UniProt
Last Modified
06 June 2014