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

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ChEBI Name 2,3-dihydroxybenzoyl 5'-adenylate
ChEBI ID CHEBI:15572
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18521, CHEBI:10846, CHEBI:170
Supplier Information ZINC000004096290
Download Molfile XML SDF
Formula C17H18N5O10P
Net Charge 0
Average Mass 483.32628
Monoisotopic Mass 483.07913
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)/t9-,12-,13-,16-/m1/s1
InChIKey ULPVJDOMCRTJSN-RVXWVPLUSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(2,3-Dihydroxybenzoyl)adenylate KEGG COMPOUND
adenosine 5'-(2,3-dihydroxybenzoyl hydrogen phosphate) ChEBI
Manual Xref Database
C04030 KEGG COMPOUND
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Last Modified
18 October 2018