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Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:3 > 1-eicosanoyl-2-[(11z,14z,17z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:3 > 1-eicosanoyl-2-[(11z,14z,17z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

Preferred term

1-eicosanoyl-2-[(11z,14z,17z)-eicosatrienoyl]-sn-glycero-3-phosphocholine  

Type

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

Broader concept

charge

  • 0

formula

  • C48H90NO8P

inchi

  • InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,46H,6-8,10,12-14,16,18-20,22,24-45H2,1-5H3/b11-9-,17-15-,23-21-/t46-/m1/s1

inchikey

  • REABNEVSLLNWCN-NEUZZYPFSA-N

mass

  • 840.20390

monoisotopicmass

  • 839.64041

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2R)-3-(icosanoyloxy)-2-{[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86416

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