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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 > pa(22:6(4z,7z,10z,13z,16z,19z)/6 keto-pgf1alpha)

Preferred term

pa(22:6(4z,7z,10z,13z,16z,19z)/6 keto-pgf1alpha)  

Type

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

Broader concept

charge

  • 0

formula

  • C45H71O12P

inchi

  • InChI=1S/C45H71O12P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-44(50)55-35-39(36-56-58(52,53)54)57-45(51)30-26-25-28-38(47)33-41-40(42(48)34-43(41)49)32-31-37(46)27-23-6-4-2/h5,7,9-10,12-13,15-16,18-19,21-22,31-32,37,39-43,46,48-49H,3-4,6,8,11,14,17,20,23-30,33-36H2,1-2H3,(H2,52,53,54)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-,32-31+/t37-,39+,40+,41+,42+,43-/m0/s1

inchikey

  • XBHRGAMIQUZLNE-DEXCNICZSA-N

mass

  • 835.025

monoisotopicmass

  • 834.46831

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)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)(O)(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-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230684

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