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Concept information

Preferred term

n-(17z-hexacosenoyl)-sphingosine-1-phosphocholine  

Type

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

charge

  • 0

formula

  • C49H97N2O6P

has_functional_parent

inchi

  • InChI=1S/C49H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h20-21,40,42,47-48,52H,6-19,22-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b21-20-,42-40+/t47-,48+/m0/s1

inchikey

  • YXEXWUZHFGYOHJ-UOJCCMJYSA-N

mass

  • 841.27800

monoisotopicmass

  • 840.70843

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-2-[(17Z)-hexacos-17-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84476

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