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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > straight-chain fatty acid > linolenic acid > gamma-linolenic acid > 1-octadecanoyl-2-[(6z,9z,12z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

Preferred term

1-octadecanoyl-2-[(6z,9z,12z)-octadecatrienoyl]-sn-glycero-3-phosphocholine  

Type

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

Broader concept

charge

  • 0

formula

  • C44H82NO8P

has_functional_parent

inchi

  • InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,42H,6-14,16,18-20,22,24-26,28,30-41H2,1-5H3/b17-15-,23-21-,29-27-/t42-/m1/s1

inchikey

  • KJVJKBRMUDGTKA-NZXQIXPOSA-N

mass

  • 784.09750

monoisotopicmass

  • 783.57781

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2R)-3-(octadecanoyloxy)-2-{[(6Z,9Z,12ZZ)-octadeca-6,9,12-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86117

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