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Chemistry, part 2

Content language

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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 > pe(pge1/22:2(13z,16z))

Preferred term

pe(pge1/22:2(13z,16z))  

Type

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

Broader concept

charge

  • 0

formula

  • C47H84NO11P

inchi

  • InChI=1S/C47H84NO11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-32-47(53)59-41(39-58-60(54,55)57-36-35-48)38-56-46(52)31-27-24-23-26-30-42-43(45(51)37-44(42)50)34-33-40(49)29-25-6-4-2/h9-10,12-13,33-34,40-43,45,49,51H,3-8,11,14-32,35-39,48H2,1-2H3,(H,54,55)/b10-9-,13-12-,34-33+/t40-,41+,42+,43+,45+/m0/s1

inchikey

  • HINTXBOIJPUHKX-QDVMAHSISA-N

mass

  • 870.159

monoisotopicmass

  • 869.57820

smiles

  • P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)(OCCN)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoyloxy]propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231092

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