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Concept information

Preferred term

n-[(9z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine  

Type

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

charge

  • 0

formula

  • C37H73N2O7P

inchi

  • InChI=1S/C37H73N2O7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(41)35(33-46-47(43,44)45-31-30-39(3,4)5)38-37(42)32-34(40)28-26-24-22-20-15-13-11-9-7-2/h13,15,27,29,34-36,40-41H,6-12,14,16-26,28,30-33H2,1-5H3,(H-,38,42,43,44)/b15-13-,29-27+/t34?,35-,36+/m0/s1

inchikey

  • ZNHNJXWKKQKMBU-POWUNZFVSA-N

mass

  • 688.960

monoisotopicmass

  • 688.51554

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-3-hydroxy-2-{[(9Z)-3-hydroxytetradec-9-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90011

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