[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] (Z)-docos-13-enoate

Systemtic Name: [(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] (Z)-docos-13-enoate Openeye Name: [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-octadecanoyloxy-ethyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxooctadecoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-stearoyloxy-ethyl] ester Formula: C45H88NO8P MolecularWeight: 802.155881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1