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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 > pg(18:2(9z,11z)/6 keto-pgf1alpha)

Preferred term

pg(18:2(9z,11z)/6 keto-pgf1alpha)  

Type

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

Broader concept

charge

  • 0

formula

  • C44H77O14P

inchi

  • InChI=1S/C44H77O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-43(51)55-33-38(34-57-59(53,54)56-32-37(48)31-45)58-44(52)26-22-21-24-36(47)29-40-39(41(49)30-42(40)50)28-27-35(46)23-19-6-4-2/h10-13,27-28,35,37-42,45-46,48-50H,3-9,14-26,29-34H2,1-2H3,(H,53,54)/b11-10-,13-12-,28-27+/t35-,37-,38+,39+,40+,41+,42-/m0/s1

inchikey

  • HZRPVIQAYYMRRX-DYDOWXRISA-N

mass

  • 861.060

monoisotopicmass

  • 860.50509

smiles

  • P(OC[C@H](OC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCC/C=C/C=C/CCCCCC)(OC[C@@H](O)CO)(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]-6-oxoheptanoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (9Z,11Z)-octadeca-9,11-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231003

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