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Concept information

Preferred term

PE (20:1 (11Z)/22:6 (4Z،7Z،10Z،12E،16Z،19Z) OH(14))  

Type

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

charge

  • 0

formula

  • C47H80NO9P

inchi

  • InChI=1S/C47H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-26-30-34-38-46(50)54-42-45(43-56-58(52,53)55-41-40-48)57-47(51)39-35-31-27-24-21-20-22-25-29-33-37-44(49)36-32-28-10-8-6-4-2/h6,8,14-15,20-21,25,27-29,31-33,37,44-45,49H,3-5,7,9-13,16-19,22-24,26,30,34-36,38-43,48H2,1-2H3,(H,52,53)/b8-6-,15-14-,21-20-,29-25-,31-27-,32-28-,37-33+/t44?,45-/m1/s1

inchikey

  • XKCFCENBCWONGU-XSKWWSBJSA-N

mass

  • 834.129

monoisotopicmass

  • 833.55707

smiles

  • P(OC[C@H](OC(=O)CC/C=C/C/C=C/C/C=C/C=C/C(O)C/C=C/C/C=C/CC)COC(=O)CCCCCCCCC/C=C/CCCCCCCC)(OCCN)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230307

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