(21R)-27-Amino-24-Hydroxy-24-Oxido-18-Oxo-19,23,25-Trioxa-24Lambda~5~-Phosphaheptacosan-21-Yl (5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoate

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Properties Simple | Detailed

Formula C43H78NO8P
IUPAC Name [(1r)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-octadecanoyloxy-ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
Molecular Mass 768.055 g·mol−1
Heat of Formation -2072.7 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 1046.63 Å 3
Surface Area 939.79 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
  • (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoic acid [(1r)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-stearoyloxy-ethyl] ester
  • (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoic acid [(1r)-1-[(2-aminoethoxy-hydroxyphosphoryl)oxymethyl]-2-(1-oxooctadecoxy)ethyl] ester
  • 5,8,11,14-eicosatetraenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, [r-(all-z)]-
  • [(1r)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-octadecanoyloxy-ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
  • [(2r)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-octadecanoyloxy-propan-2-yl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
  • [(2r)-1-(2-aminoethoxy-hydroxyphosphoryl)oxy-3-octadecanoyloxypropan-2-yl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
  • pe(18:0/20:4(5z,8z,11z,14z))
  • pek
  • phosphatidylethanolamine, 2-arachidonoyl-1-stearoyl-sn-glycerol-3-phosphoethanolamine
InChIKey ANRKEHNWXKCXDB-BHFWLYLHSA-N
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