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Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 36:2 > 1-octadecanoyl-2-[(2e,4e)-octadecadienoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 36:2 > 1-octadecanoyl-2-[(2e,4e)-octadecadienoyl]-sn-glycero-3-phosphocholine

Preferred term

1-octadecanoyl-2-[(2e,4e)-octadecadienoyl]-sn-glycero-3-phosphocholine  

Type

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

Broader concept

charge

  • 0

formula

  • C44H84NO8P

has_functional_parent

inchi

  • InChI=1S/C44H84NO8P/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/h31,33,35,37,42H,6-30,32,34,36,38-41H2,1-5H3/b33-31+,37-35+/t42-/m1/s1

inchikey

  • DTPHOVXVLBUQRC-BIFUJNFHSA-N

mass

  • 786.11340

monoisotopicmass

  • 785.59346

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-[(2E,4E)-octadeca-2,4-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84820

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