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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 > sm(d17:2(4e,8z)/pgj2)

Preferred term

sm(d17:2(4e,8z)/pgj2)  

Type

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

Broader concept

charge

  • 0

formula

  • C42H73N2O8P

inchi

  • InChI=1S/C42H73N2O8P/c1-6-8-10-11-12-13-14-15-16-17-18-23-27-41(47)39(35-52-53(49,50)51-34-33-44(3,4)5)43-42(48)28-24-20-19-22-25-36-29-32-40(46)38(36)31-30-37(45)26-21-9-7-2/h15-16,19,22-23,27,29-32,36-39,41,45,47H,6-14,17-18,20-21,24-26,28,33-35H2,1-5H3,(H-,43,48,49,50)/b16-15-,22-19-,27-23+,31-30+/t36-,37-,38+,39-,41+/m0/s1

inchikey

  • LTEJTIXDTAJBOQ-JHHXISLPSA-N

mass

  • 765.026

monoisotopicmass

  • 764.51045

smiles

  • P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC/C=C/C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CC/C=C/CCCCCCCC)([O-])=O

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4E,8Z)-3-hydroxy-2-[[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]amino]heptadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230086

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