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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 > pe(18:1(11z)/6 keto-pgf1alpha)

Preferred term

pe(18:1(11z)/6 keto-pgf1alpha)  

Type

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

Broader concept

charge

  • 0

formula

  • C43H78NO12P

inchi

  • InChI=1S/C43H78NO12P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-42(49)53-33-37(34-55-57(51,52)54-30-29-44)56-43(50)26-22-21-24-36(46)31-39-38(40(47)32-41(39)48)28-27-35(45)23-19-6-4-2/h10-11,27-28,35,37-41,45,47-48H,3-9,12-26,29-34,44H2,1-2H3,(H,51,52)/b11-10-,28-27+/t35-,37+,38+,39+,40+,41-/m0/s1

inchikey

  • MRNCYOUJMRKZEY-SPDGHSLPSA-N

mass

  • 832.066

monoisotopicmass

  • 831.52616

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)CCCCCCCCC/C=C/CCCCCC)(OCCN)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxypropyl] (Z)-octadec-11-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230149

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