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Concept information

Preferred term

1 (3 O سولفو بتا D galactosyl) N [(15Z) tetracos 15 enoyl]sphingosine (1)  

Type

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

charge

  • -1

formula

  • C48H90NO11S

inchi

  • InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/p-1/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1

inchikey

  • ZZQWQNAZXFNSEP-JCOQVFCVSA-M

mass

  • 889.296

monoisotopicmass

  • 888.62401

smiles

  • C(=C/CCCCCCCCCCCCC)/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCC/C=C/CCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS([O-])(=O)=O)O

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-3-hydroxy-2-{[(15Z)-tetracos-15-enoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-beta-D-galactopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139139

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