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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 > pc(20:4(5z,8z,11z,14z)/pgd1)

Preferred term

pc(20:4(5z,8z,11z,14z)/pgd1)  

Type

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

Broader concept

charge

  • 0

formula

  • C48H82NO11P

inchi

  • InChI=1S/C48H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-47(53)57-39-42(40-59-61(55,56)58-37-36-49(3,4)5)60-48(54)33-29-25-24-27-31-43-44(46(52)38-45(43)51)35-34-41(50)30-26-9-7-2/h12-13,15-16,18-19,21-22,34-35,41-45,50-51H,6-11,14,17,20,23-33,36-40H2,1-5H3/b13-12-,16-15-,19-18-,22-21-,35-34+/t41-,42+,43+,44+,45-/m0/s1

inchikey

  • ABVCYMWUBRLWDH-ZMMZNLMSSA-N

mass

  • 880.154

monoisotopicmass

  • 879.56255

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(2R)-2-[7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230162

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