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Substance Name: 1-Palmitoyl-2-(5-hydroxy-6,8,11,14-eicosatetraenoyl)-glycero-3-phosphocholine
RN: 125111-41-3
InChIKey: IVTVKFZMSCWBFZ-MIYDOVCTSA-N

Note

  • Naturally occurring hydroxylated lecithin.

Molecular Formula

  • C44-H80-N-O9-P

Molecular Weight

  • 798.088
 
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Names and Synonyms

Name of Substance

  • 1-Palmitoyl-2-(5-hydroxy-6,8,11,14-eicosatetraenoyl)-glycero-3-phosphocholine

Synonyms

  • 1-Palm-2-5HETE PC
  • 4,13-Dihydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-3,5,8-trioxa-4-phosphaoctacosa-14,16,19,22-tetraen-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E,E,E)))-

Systematic Name

  • 3,5,8-Trioxa-4-phosphaoctacosa-14,16,19,22-tetraen-1-aminium, 4,13-dihydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E,E,E)))-

Registry Numbers

CAS Registry Number

  • 125111-41-3

System Generated Number

  • 0125111413

Structure Descriptors

InChI

1S/C44H80NO9P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-33-41(46)34-32-36-44(48)54-42(40-53-55(49,50)52-38-37-45(3,4)5)39-51-43(47)35-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,30,33,41-42,46H,6-13,15,17-19,21,23-25,27,29,31-32,34-40H2,1-5H3/b16-14+,22-20+,28-26+,33-30-/t41-,42-/m1/s1

InChIKey

IVTVKFZMSCWBFZ-MIYDOVCTSA-N

Smiles

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