(2,3-dihydroxybenzoyl)adenylate

Chemical Formula:

C₁₇H₁₇N₅O₁₀P

Molecular Weight:

482.323 Daltons

Monoisotopic Mass:

483.0791283347999 Daltons

SMILES:

C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)C4(C=CC=C(O)C(O)=4)

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

Synonyms

2,3-dihydroxybenzoyl-AMP
2,3-dihydroxybenzoyl adenylate

Databases

MetaCyc: CPD-62

BiGG: 23dhba

ChemSpider: 552208

ChEBI: 57417

PubChem (CID): 636431

KEGG: C04030

Seed: cpd02494

MetaNetX: MNXM1978