4-hydroxybenzoyl-adenylate

Chemical Formula:

C₁₇H₁₇N₅O₉P

Molecular Weight:

466.323 Daltons

Monoisotopic Mass:

467.0842137127 Daltons

SMILES:

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

InChI:

1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-1-3-9(23)4-2-8/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1

InChIKey:

DMJCKNFAONBFQI-XNIJJKJLSA-M

Databases

MetaCyc: CPD-18621

ChEBI: 86435

PubChem (CID): 91826555

MetaNetX: MNXM146972