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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(17:0/pgf1alpha)

Preferred term

pc(17:0/pgf1alpha)  

Type

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

Broader concept

charge

  • 0

formula

  • C45H86NO11P

inchi

  • InChI=1S/C45H86NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-25-29-44(50)54-36-39(37-56-58(52,53)55-34-33-46(3,4)5)57-45(51)30-26-22-21-24-28-40-41(43(49)35-42(40)48)32-31-38(47)27-23-9-7-2/h31-32,38-43,47-49H,6-30,33-37H2,1-5H3/b32-31+/t38-,39+,40+,41+,42-,43+/m0/s1

inchikey

  • XRCRRPVSLVKBBQ-DNJZHYSYSA-N

mass

  • 848.153

monoisotopicmass

  • 847.59385

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-heptadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230258

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