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

ChEBI IDCHEBI:57417
ChEBI Name2,3-dihydroxybenzoyl 5'-adenylate(1−)
Stars
ASCII Name2,3-dihydroxybenzoyl 5'-adenylate(1-)
DefinitionConjugate base of 2,3-dihydroxybenzoyl 5'-adenylate.
Last Modified23 September 2019
DownloadsMolfile
FormulaC17H17N5O10P
Net Charge-1
Average Mass482.322
Monoisotopic Mass482.07185
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyULPVJDOMCRTJSN-RVXWVPLUSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
2,3-dihydroxybenzoyl-5'-AMPUniProt