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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > icosanoid > prostanoid > pc(20:0/pgj2)

Preferred term

pc(20:0/pgj2)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C48H86NO10P

inchi

  • InChI=1S/C48H86NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-47(52)56-40-44(41-58-60(54,55)57-39-38-49(3,4)5)59-48(53)33-29-25-24-27-30-42-34-37-46(51)45(42)36-35-43(50)31-26-9-7-2/h24,27,34-37,42-45,50H,6-23,25-26,28-33,38-41H2,1-5H3/b27-24-,36-35+/t42-,43-,44+,45+/m0/s1

inchikey

  • ZFISBSKLRJUFNT-ZQXSLXGXSA-N

mass

  • 868.187

monoisotopicmass

  • 867.59893

smiles

  • P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C/C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)([O-])=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230209

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