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Substance Name: 1-Palmitoyl-2,6-(pyren-1-yl)hexanoyl-sn-glycero-3-phospho-N-(trinitrophenyl)aminoethanol
RN: 114244-01-8
InChIKey: YYRYSPLQZHCVSJ-VQJSHJPSSA-N

Note

  • Used as a substrate for phospholipase A2 assay.

Molecular Formula

  • C49-H63-N4-O14-P

Molecular Weight

  • 963.025
 
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Names and Synonyms

Name of Substance

  • 1-Palmitoyl-2,6-(pyren-1-yl)hexanoyl-sn-glycero-3-phospho-N-(trinitrophenyl)aminoethanol

Synonym

  • PPHTE

Systematic Name

  • 1-Pyrenehexanoic acid, 1-(((hydroxy(2-((2,4,6-trinitrophenyl)amino)ethoxy)phosphinyl)oxy)methyl)-2-((1-oxohexadecyl)oxy)ethyl ester, (R)-

Registry Numbers

CAS Registry Number

  • 114244-01-8

System Generated Number

  • 0114244018

Structure Descriptors

InChI

1S/C49H63N4O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-45(54)64-34-41(35-66-68(62,63)65-31-30-50-49-43(52(58)59)32-40(51(56)57)33-44(49)53(60)61)67-46(55)23-17-14-15-19-36-24-25-39-27-26-37-20-18-21-38-28-29-42(36)48(39)47(37)38/h18,20-21,24-29,32-33,41,50H,2-17,19,22-23,30-31,34-35H2,1H3,(H,62,63)/t41-/m1/s1

InChIKey

YYRYSPLQZHCVSJ-VQJSHJPSSA-N

Smiles

c1(NCCO[P@@](OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCc2c3ccc4c5c(ccc4)ccc(c35)cc2)(O)=O)c([N+]([O-])=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O