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Concept information

Preferred term

N (2 هیدروکسی تتراکوزانویل) (3 O سولفو D گالاکتوزیل) اسفنگوزین (1)  

Type

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

charge

  • -1

formula

  • C48H92NO12S

inchi

  • InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/p-1/b36-34+/t40-,41+,42?,43+,44-,45+,46-,48?/m0/s1

inchikey

  • QTTLKKFUOJQIRB-UDGPQZKOSA-M

mass

  • 907.30900

monoisotopicmass

  • 906.63457

smiles

  • CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COC1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-3-hydroxy-2-[(2-hydroxtetracosanoyl)amino]octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83902

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