1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine

CAS Registry Number®

123284-81-1
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CAS Name

1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine

Molecular Formula

C49H74NO8P

Molecular Mass

836.09

Cite this Page

1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123284-81-1 (retrieved 2024-05-09) (CAS RN: 123284-81-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1

InChIKey

InChIKey=RBDNSJMXMWTPCS-NYUVKXDYSA-N

SMILES

[C@@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COP(OCCN)(=O)O

Canonical SMILES

O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC

Other Names for this Substance

  • 4,7,10,13,16,19-Docosahexaenoic acid, 1,1′-[(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester, (4Z,4′Z,7Z,7′Z,10Z,10′Z,13Z,13′Z,16Z,16′Z,19Z,19′Z)-
  • 4,7,10,13,16,19-Docosahexaenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, [R-(all-Z)]-
  • 4,7,10,13,16,19-Docosahexaenoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (4Z,4′Z,7Z,7′Z,10Z,10′Z,13Z,13′Z,16Z,16′Z,19Z,19′Z)-
  • 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine
  • 68: PN: WO2017201317 SEQID: 141 claimed RNA

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