1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine

CAS Registry Number®

59403-54-2
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CAS Name

1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine

Molecular Formula

C46H80NO8P

Cite this Page

1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59403-54-2 (retrieved 2024-06-18) (CAS RN: 59403-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1

InChIKey

InChIKey=IESVDEZGAHUQJU-ZLBXKVHBSA-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)(COP(OCC[N+](C)(C)C)(=O)[O-])COC(CCCCCCCCCCCCCCC)=O

Canonical SMILES

O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC

Other Names for this Substance

  • 3,5,8-Trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, (7R,12Z,15Z,18Z,21Z,24Z,27Z)-
  • 3,5,8-Trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(all-Z)]-
  • 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
  • 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
  • Palmitoyldocosahexaenoylphosphatidylcholine

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Deleted or Replaced CAS Registry Numbers

159701-25-4, 957220-29-0

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