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Concept information

Preferred term

pe-nme2(20:3(5z,8z,11z)/22:6(4z,7z,10z,13z,16z,19z))  

Type

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

Broader concept

charge

  • 0

formula

  • C49H80NO8P

inchi

  • InChI=1S/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-22,24,26-27,29-30,32-33,35-36,38,47H,5-6,8,10-12,14,16-18,23,25,28,31,34,37,39-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,21-19-,22-20-,26-24-,29-27-,32-30-,35-33-,38-36-

inchikey

  • NKVSHDDWYXEVGI-LPBQIQBYSA-N

mass

  • 842.152

monoisotopicmass

  • 841.56216

smiles

  • P(OCC(OC(=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)COC(=O)CCC/C=C/C/C=C/C/C=C/CCCCCCCC)(OCCN(C)C)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185163

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