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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(pgf2alpha/16:0)

Preferred term

pg(pgf2alpha/16:0)  

Type

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

Broader concept

charge

  • 0

formula

  • C42H77O13P

inchi

  • InChI=1S/C42H77O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26-42(49)55-36(33-54-56(50,51)53-31-35(45)30-43)32-52-41(48)25-21-18-17-20-24-37-38(40(47)29-39(37)46)28-27-34(44)23-19-6-4-2/h17,20,27-28,34-40,43-47H,3-16,18-19,21-26,29-33H2,1-2H3,(H,50,51)/b20-17+,28-27+/t34-,35-,36+,37+,38+,39-,40+/m0/s1

inchikey

  • SCUPIWHRNZCXPL-VCOFOGCZSA-N

mass

  • 821.039

monoisotopicmass

  • 820.51018

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] hexadecanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231019

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