CDP-N-methylethanolamine

Chemical Formula:

C₁₂H₂₁N₄O₁₁P₂

Molecular Weight:

459.266 Daltons

Monoisotopic Mass:

461.0838556222 Daltons

SMILES:

C(COP(=O)([O-])OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)[N+]C

InChI:

1S/C12H22N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H2,13,15,19)/p-1/t7-,9-,10-,11-/m1/s1

InChIKey:

RSPRLQAZJOAGFP-QCNRFFRDSA-M

Databases

MetaCyc: CDP-N-METHYLETHANOLAMIN

ChEBI: 57547

PubChem (CID): 46878396

KEGG: C03486

Seed: cpd02200

MetaNetX: MNXM3941