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Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > alkyl,acyl-sn-glycero-3-phosphocholine > phosphatidylcholine o-42:4 > 1-icosyl-2-[(7z,10z,13z,16z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > alkyl,acyl-sn-glycero-3-phosphocholine > phosphatidylcholine o-42:4 > 1-icosyl-2-[(7z,10z,13z,16z)-docosatetraenoyl]-sn-glycero-3-phosphocholine

Preferred term

1-icosyl-2-[(7z,10z,13z,16z)-docosatetraenoyl]-sn-glycero-3-phosphocholine  

Type

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

charge

  • 0

formula

  • C50H94NO7P

inchi

  • InChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26-27,31,33,49H,6-13,15,17-19,21,23-25,28-30,32,34-48H2,1-5H3/b16-14-,22-20-,27-26-,33-31-/t49-/m1/s1

inchikey

  • WSHCLKDGQAEXNQ-MRGADFHSSA-N

mass

  • 852.25760

monoisotopicmass

  • 851.67679

smiles

  • CCCCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy}-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86452

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