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Substance Name: 1-Palmitoyl-2-((2-(4-(6-phenyl-1,3,4-hexatrienyl)phenyl)ethyl)carbonyl)-3-phosphatidylcholine
RN: 98014-38-1
InChIKey: KUICZDXXMCRPHS-LZYLQXPQSA-N

Molecular Formula

  • C45-H68-N-O8-P

Molecular Weight

  • 782.005
 
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Names and Synonyms

Name of Substance

  • 1-Palmitoyl-2-((2-(4-(6-phenyl-1,3,4-hexatrienyl)phenyl)ethyl)carbonyl)-3-phosphatidylcholine

Synonym

  • Dphppc

Systematic Name

  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-(1-oxo-3-(4-(6-phenyl-1,3,5-hexatrienyl)phenyl)propoxy)-, hydroxide, inner salt, 4-oxide, (R-(E,E,E))-

Registry Numbers

CAS Registry Number

  • 98014-38-1

System Generated Number

  • 0098014381

Structure Descriptors

InChI

1S/C45H68NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-29-44(47)51-38-43(39-53-55(49,50)52-37-36-46(2,3)4)54-45(48)35-34-42-32-30-41(31-33-42)28-21-18-17-20-25-40-26-22-19-23-27-40/h17-23,25-28,30-33,43H,5-16,24,29,34-39H2,1-4H3/b18-17+,25-20+,28-21+/t43-/m1/s1

InChIKey

KUICZDXXMCRPHS-LZYLQXPQSA-N

Smiles

C(COP(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCc1ccc(cc1)\C=C\C=C\C=C\c1ccccc1)=O)(=O)[O-])[N+](C)(C)C