Met000731: Phoslactomycin A

Metabolite Information

Name

Phoslactomycin A

IUPAC Name

[3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 2-methylpropanoate

Molecular Formula

C29H46NO10P

Molecular Weight

599.6

Exact Mass

599.2859337

SMILES

CCC1C=CC(=O)OC1C=CC(CCN)(C(CC(C=CC=CC2CCCC(C2)OC(=O)C(C)C)O)OP(=O)(O)O)O

InChIKey

LOAKADZNOAGFPM-XNHNZVDCSA-N

InChI

InChI=1S/C29H46NO10P/c1-4-22-12-13-27(32)39-25(22)14-15-29(34,16-17-30)26(40-41(35,36)37)19-23(31)10-6-5-8-21-9-7-11-24(18-21)38-28(33)20(2)3/h5-6,8,10,12-15,20-26,31,34H,4,7,9,11,16-19,30H2,1-3H3,(H2,35,36,37)/b8-5+,10-6+,15-14+