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Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 42:2 > 1-hexadecanoyl-2-[(5z,9z)-hexacosadienoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 42:2 > 1-hexadecanoyl-2-[(5z,9z)-hexacosadienoyl]-sn-glycero-3-phosphocholine

Preferred term

1-hexadecanoyl-2-[(5z,9z)-hexacosadienoyl]-sn-glycero-3-phosphocholine  

Type

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

Broader concept

charge

  • 0

formula

  • C50H96NO8P

has_functional_parent

inchi

  • InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h28-29,35,37,48H,6-27,30-34,36,38-47H2,1-5H3/b29-28-,37-35-/t48-/m1/s1

inchikey

  • ITFWNTFYLTWDNT-DDPSORSSSA-N

mass

  • 870.27290

monoisotopicmass

  • 869.68736

smiles

  • CCCCCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-{[(5Z,9Z)-hexacosa-5,9-dienoyl]oxy}-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86418

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