skip to main content

Content language

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

Concept information

Preferred term

N hexacosanoylsphingosine 1 phosphocholine  

Type

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

alt_id

  • CHEBI:84478

charge

  • 0

formula

  • C49H99N2O6P

inchi

  • InChI=1S/C49H99N2O6P/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/h40,42,47-48,52H,6-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b42-40+/t47-,48+/m0/s1

inchikey

  • VRAWSAPVSSLIRI-MVUJCARGSA-N

mass

  • 843.29390

monoisotopicmass

  • 842.72408

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83361

Download this concept: