dTDP-β-L-evernosamine

Chemical Formula:

C₁₈H₃₀N₃O₁₃P₂

Molecular Weight:

558.395 Daltons

Monoisotopic Mass:

560.1410361500999 Daltons

SMILES:

CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP([O-])(=O)OP([O-])(=O)OC2(OC(C)C(OC)C(C)([N+])C2))O3))

InChI:

1S/C18H31N3O13P2/c1-9-7-21(17(24)20-16(9)23)13-5-11(22)12(32-13)8-30-35(25,26)34-36(27,28)33-14-6-18(3,19)15(29-4)10(2)31-14/h7,10-15,22H,5-6,8,19H2,1-4H3,(H,25,26)(H,27,28)(H,20,23,24)/p-1/t10-,11-,12+,13+,14+,15-,18-/m0/s1

InChIKey:

QEQCMOGEDCECSI-JGQKHYKVSA-M

Databases

MetaCyc: CPD-16433

PubChem (CID): 86289138

ChEBI: 77144

MetaNetX: MNXM145708

KEGG: C20765