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Concept information

Preferred term

Ins 1 P Cer(d18:0/16:0)(1)  

Type

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

charge

  • -1

formula

  • C40H79NO11P

inchi

  • InChI=1S/C40H80NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(42)32(31-51-53(49,50)52-40-38(47)36(45)35(44)37(46)39(40)48)41-34(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,35-40,42,44-48H,3-31H2,1-2H3,(H,41,43)(H,49,50)/p-1/t32-,33+,35-,36-,37+,38+,39+,40-/m0/s1

inchikey

  • ZIRQNJUXZWGHLD-FLTMMBLOSA-M

mass

  • 781.02970

monoisotopicmass

  • 780.53962

smiles

  • CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:72547

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