futalosine

Chemical Formula:

C₁₉H₁₇N₄O₇

Molecular Weight:

413.366 Daltons

Monoisotopic Mass:

414.1175489533 Daltons

SMILES:

C1(=NC2(=C(C(=O)N1)N=CN2C4(C(O)C(O)C(CCC(C3(C=C(C([O-])=O)C=CC=3))=O)O4)))

InChI:

1S/C19H18N4O7/c24-11(9-2-1-3-10(6-9)19(28)29)4-5-12-14(25)15(26)18(30-12)23-8-22-13-16(23)20-7-21-17(13)27/h1-3,6-8,12,14-15,18,25-26H,4-5H2,(H,28,29)(H,20,21,27)/p-1/t12-,14-,15-,18-/m1/s1

InChIKey:

VEDWXCWBMDQNCV-SCFUHWHPSA-M

Synonyms

3-{3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]propanoyl}benzoic acid

Databases

MetaCyc: CPD-10477

RefMet: Futalosine

ChEBI: 58863

PubChem (CID): 46878462 135464322 135926564

KEGG: C16999

Seed: cpd17270

MetaNetX: MNXM3596