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Substance Name: 1,2-Oleoylthionphosphatidylcholine
RN: 81844-74-8
InChIKey: PNQHZHWDHOTUTA-YEUCEMRASA-N

Note

  • Sulfur atom replaces double-bonded oxygen in phosphate group.

Molecular Weight

  • 802.188
 
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Names and Synonyms

Name of Substance

  • 1,2-Oleoylthionphosphatidylcholine

Synonyms

  • 1,2-Oleoylthion-sn-glycero-3-phosphocholine
  • Dioleoyl-thion-phosphatidylcholine
  • DOTPC

Systematic Name

  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9-octadecenyl)oxy)-, hydroxide, inner salt, 4-sulfide, (Z,Z)-

Registry Numbers

CAS Registry Number

  • 81844-74-8

System Generated Number

  • 0081844748

Structure Descriptors

InChI

1S/C44H84NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)49-40-42(41-51-53(48,54)50-39-38-45(3,4)5)52-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-

InChIKey

PNQHZHWDHOTUTA-YEUCEMRASA-N

Smiles

C(CO[P@@](OC[C@@H](COC(CCCCCCC\C=C/CCCCCCCC)=O)OC(CCCCCCC\C=C/CCCCCCCC)=O)(=O)[S-])[N+](C)(C)C