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Substance Name: 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
RN: 59403-54-2
InChIKey: IESVDEZGAHUQJU-ZLBXKVHBSA-N

Molecular Weight

  • 806.111
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • (CD3-16.0)(22.6)PC
  • 1-(16,16,16-Trideuteriopalmitoyl)-2-docosahexaenoyl-sn-glycero-3-phosphocholine
  • 1-Palmitoyl-2-docosahexaenoylphosphatidylcholine
  • Pdch-gpc
  • PDPC

Systematic Name

  • 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)-, hydroxide, inner salt, 4-oxide, (R-(all-Z))-

Registry Numbers

CAS Registry Number

  • 59403-54-2

System Generated Number

  • 0059403542

Structure Descriptors

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

IESVDEZGAHUQJU-ZLBXKVHBSA-N

Smiles

C(COP(OC[C@H](OC(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)[O-])[N+](C)(C)C