skip to main content

Content language

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

Concept information

Preferred term

N [(13Z,16Z) 3 hydroxydocosa 13,16 enoyl]sphingosine 1 phosphocholine  

Type

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

charge

  • 0

formula

  • C45H87N2O7P

inchi

  • InChI=1S/C45H87N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,35,37,42-44,48-49H,6-13,15,17-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b16-14-,21-20-,37-35+/t42?,43-,44+/m0/s1

inchikey

  • DRKCMBAZIYFIGX-ZWLRGCNFSA-N

mass

  • 799.157

monoisotopicmass

  • 798.62509

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-3-hydroxy-2-{[(13Z,16Z)-3-hydroxydocosa-13,16-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90003

Download this concept: