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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 > cdp-dg(20:3(5z,8z,11z)/pge1)

Preferred term

cdp-dg(20:3(5z,8z,11z)/pge1)  

Type

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

Broader concept

charge

  • 0

formula

  • C52H85N3O18P2

inchi

  • InChI=1S/C52H85N3O18P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-47(59)68-36-40-37-69-74(64,65)73-75(66,67)70-38-45-50(62)49(61)41(32-31-39(56)27-23-6-4-2)43(57)35-44(58)42(28-24-21-22-26-30-48(60)71-40)51(72-45)55-34-33-46(53)54-52(55)63/h12-13,15-16,18-19,31-34,39-43,45,49-51,56-57,61-62H,3-11,14,17,20-30,35-38H2,1-2H3,(H,64,65)(H,66,67)(H2,53,54,63)/b13-12-,16-15-,19-18-,32-31-/t39-,40+,41-,42-,43+,45+,49-,50+,51+/m0/s1

inchikey

  • PZLRDRLSOHSVDG-XTZVIOEVSA-N

mass

  • 1102.203

monoisotopicmass

  • 1101.53034

smiles

  • P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CCCCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCC/C=C/C/C=C/C/C=C/CCCCCCCC)=O)C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxopyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(Z,3S)-3-hydroxyoct-1-enyl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacosan-9-yl]methyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230082

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