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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 > pg(a-25:0/pgd2)

Preferred term

pg(a-25:0/pgd2)  

Type

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

Broader concept

charge

  • 0

formula

  • C51H93O13P

inchi

  • InChI=1S/C51H93O13P/c1-4-6-25-31-43(53)35-36-47-46(48(55)37-49(47)56)32-27-23-24-29-34-51(58)64-45(41-63-65(59,60)62-39-44(54)38-52)40-61-50(57)33-28-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-30-42(3)5-2/h23,27,35-36,42-48,52-55H,4-22,24-26,28-34,37-41H2,1-3H3,(H,59,60)/b27-23-,36-35+/t42?,43-,44-,45+,46+,47+,48-/m0/s1

inchikey

  • LGYDVQLDNUXUBJ-MTONHRDCSA-N

mass

  • 945.266

monoisotopicmass

  • 944.63538

smiles

  • P(OC[C@H](OC(=O)CCC/C=C/C[C@@H]1[C@H](C(=O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoyl]oxypropyl] 22-methyltetracosanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231036

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