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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfone > 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl beta-d-galactosyl-(1->4)-beta-d-glucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > sulfone > 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl beta-d-galactosyl-(1->4)-beta-d-glucoside

Preferred term

3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl beta-d-galactosyl-(1->4)-beta-d-glucoside  

Type

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

charge

  • 0

formula

  • C48H94O15S2

has_functional_parent

inchi

  • InChI=1S/C48H94O15S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-64(56,57)36-38(37-65(58,59)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-60-47-45(55)43(53)46(40(34-50)62-47)63-48-44(54)42(52)41(51)39(33-49)61-48/h38-55H,3-37H2,1-2H3/t39-,40-,41+,42+,43-,44-,45-,46-,47-,48+/m1/s1

inchikey

  • ZJEIXRMBHAATLQ-LAWZUEHLSA-N

mass

  • 975.38100

monoisotopicmass

  • 974.60341

smiles

  • CCCCCCCCCCCCCCCCS(=O)(=O)CC(CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CS(=O)(=O)CCCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63531

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