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Concept information

... > organooxygen compound > carboxamide > secondary carboxamide > sphingomyelin > sphingomyelin d18:1 > n-tridecanoylsphingosine-1-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phosphocholines > sphingomyelin > sphingomyelin d18:1 > n-tridecanoylsphingosine-1-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > sphingomyelin > sphingomyelin d18:1 > n-tridecanoylsphingosine-1-phosphocholine
... > organooxygen compound > sphingolipid > phosphosphingolipid > sphingomyelin > sphingomyelin d18:1 > n-tridecanoylsphingosine-1-phosphocholine

Preferred term

n-tridecanoylsphingosine-1-phosphocholine  

Type

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

Broader concept

charge

  • 0

formula

  • C36H73N2O6P

has_functional_parent

inchi

  • InChI=1S/C36H73N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-35(39)34(33-44-45(41,42)43-32-31-38(3,4)5)37-36(40)30-28-26-24-22-17-15-13-11-9-7-2/h27,29,34-35,39H,6-26,28,30-33H2,1-5H3,(H-,37,40,41,42)/b29-27+/t34-,35+/m0/s1

inchikey

  • CANBGAIKNASUDF-WSYRTZMQSA-N

mass

  • 660.94840

monoisotopicmass

  • 660.52063

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-3-hydroxy-2-(tridecanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85023

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