(L-threonylcarbamoyl)adenylate

Chemical Formula:

C₁₅H₁₉N₆O₁₁P

Molecular Weight:

490.322 Daltons

Monoisotopic Mass:

492.10059205839997 Daltons

SMILES:

CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O

InChI:

1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/p-2/t5-,6-,7+,9-,10-,13-/m1/s1

InChIKey:

GHLUPQUHEIJRCU-DWVDDHQFSA-L

Databases

MetaCyc: CPD-15435

PubChem (CID): 71464565

ChEBI: 73682

Reactome: 6784485

MetaNetX: MNXM145767

KEGG: C20641