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CHEBI:15572 - 2,3-dihydroxybenzoyl 5'-adenylate

ChEBI IDCHEBI:15572
ChEBI Name2,3-dihydroxybenzoyl 5'-adenylate
Stars
Secondary ChEBI IDsCHEBI:170, CHEBI:10846, CHEBI:18521
Last Modified18 October 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H18N5O10P
Net Charge0
Average Mass483.330
Monoisotopic Mass483.07913
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)/t9-,12-,13-,16-/m1/s1
InChIKeyULPVJDOMCRTJSN-RVXWVPLUSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572) has role Escherichia coli metabolite (CHEBI:76971)
2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572) is a adenosine 5'-phosphate (CHEBI:37096)
2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572) is conjugate acid of 2,3-dihydroxybenzoyl 5'-adenylate(1−) (CHEBI:57417)
Incoming Relation(s)
2,3-dihydroxybenzoyl 5'-adenylate(1−) (CHEBI:57417) is conjugate base of 2,3-dihydroxybenzoyl 5'-adenylate (CHEBI:15572)
IUPAC Name 
2,3-dihydroxybenzoyl 5'-adenylate
Synonyms  Source
(2,3-Dihydroxybenzoyl)adenylateKEGG COMPOUND
adenosine 5'-(2,3-dihydroxybenzoyl hydrogen phosphate)ChEBI
Manual XrefsDatabases
C04030KEGG COMPOUND