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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

Ins 1 P Cer(d20:0/16:0)(1)  

Type

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

charge

  • -1

formula

  • C42H83NO11P

inchi

  • InChI=1S/C42H84NO11P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-35(44)34(33-53-55(51,52)54-42-40(49)38(47)37(46)39(48)41(42)50)43-36(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h34-35,37-42,44,46-50H,3-33H2,1-2H3,(H,43,45)(H,51,52)/p-1/t34-,35+,37-,38-,39+,40+,41+,42-/m0/s1

inchikey

  • WCQSACMVRHUITM-SUCBYGEVSA-M

mass

  • 809.08280

monoisotopicmass

  • 808.57092

smiles

  • CCCCCCCCCCCCCCCCC[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-hydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:72554

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