(3,4-dihydroxybenzoate)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(OC(C4(C=CC(O)=C(O)C=4))=O)([O-])=O

InChI:

1S/C17H18N5O10P/c18-14-11-15(20-5-19-14)22(6-21-11)16-13(26)12(25)10(31-16)4-30-33(28,29)32-17(27)7-1-2-8(23)9(24)3-7/h1-3,5-6,10,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1

InChIKey:

YDVDHHNNOYDHLY-XNIJJKJLSA-M

Databases

MetaCyc: CPD-11474

PubChem (CID): 44237299

Seed: cpd22964

MetaNetX: MNXM9955

ChEBI: 144942