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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > onium betaine > ammonium betaine > 2-acyl-1-alkyl-sn-glycero-3-phosphocholine > 1-octadecyl-2-[(4z,7z,10z,13z,16z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > alkyl,acyl-sn-glycero-3-phosphocholine > 2-acyl-1-alkyl-sn-glycero-3-phosphocholine > 1-octadecyl-2-[(4z,7z,10z,13z,16z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > alkyl,acyl-sn-glycero-3-phosphocholine > phosphatidylcholine o-40:5 > 1-octadecyl-2-[(4z,7z,10z,13z,16z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > alkyl,acyl-sn-glycero-3-phosphocholine > phosphatidylcholine o-40:5 > 1-octadecyl-2-[(4z,7z,10z,13z,16z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phospholipid > glycerophospholipid > glycerophosphocholine > alkyl,acyl-sn-glycero-3-phosphocholine > phosphatidylcholine o-40:5 > 1-octadecyl-2-[(4z,7z,10z,13z,16z)-docosapentaenoyl]-sn-glycero-3-phosphocholine

Preferred term

1-octadecyl-2-[(4z,7z,10z,13z,16z)-docosapentaenoyl]-sn-glycero-3-phosphocholine  

Type

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

charge

  • 0

formula

  • C48H88NO7P

inchi

  • InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,35,37,47H,6-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1

inchikey

  • KDRRVBBVKZQQTN-BEBRKXFFSA-N

mass

  • 822.18860

monoisotopicmass

  • 821.62984

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-{[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86448

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