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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(16:0/pgf2alpha)

Preferred term

pc(16:0/pgf2alpha)  

Type

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

Broader concept

charge

  • 0

formula

  • C44H82NO11P

inchi

  • InChI=1S/C44H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h20,23,30-31,37-42,46-48H,6-19,21-22,24-29,32-36H2,1-5H3/b23-20+,31-30+/t37-,38+,39+,40+,41-,42+/m0/s1

inchikey

  • NJHGFFOICHJLQM-OBDJTGHISA-N

mass

  • 832.110

monoisotopicmass

  • 831.56255

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(2R)-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231123

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