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Concept information

Preferred term

PA (21:0/PGJ2)  

Type

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

Broader concept

charge

  • 0

formula

  • C44H77O10P

inchi

  • InChI=1S/C44H77O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-43(47)52-36-40(37-53-55(49,50)51)54-44(48)31-27-23-22-25-28-38-32-35-42(46)41(38)34-33-39(45)29-24-6-4-2/h22,25,32-35,38-41,45H,3-21,23-24,26-31,36-37H2,1-2H3,(H2,49,50,51)/b25-22-,34-33+/t38-,39-,40+,41+/m0/s1

inchikey

  • DKKUPQZABVCPQX-UFQMQDKOSA-N

mass

  • 797.064

monoisotopicmass

  • 796.52544

smiles

  • P(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)CCCCCCCCCCCCCCCCCCCC)(O)(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-phosphonooxypropyl] henicosanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230645

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