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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide derivative > amino oligosaccharide > glucosamine oligosaccharide > methyl 8-/{[n-acetyl-alpha-neuraminosyl-(2->3)-beta-d-galactosyl-(1->3)-[alpha-l-fucosyl-(1->4)]-n-acetyl-beta-d-glucosaminyl]oxy/}nonanoate(1-)

Preferred term

methyl 8-/{[n-acetyl-alpha-neuraminosyl-(2->3)-beta-d-galactosyl-(1->3)-[alpha-l-fucosyl-(1->4)]-n-acetyl-beta-d-glucosaminyl]oxy/}nonanoate(1-)  

Type

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

charge

  • -1

formula

  • C41H69N2O25

inchi

  • InChI=1S/C41H70N2O25/c1-17-27(52)30(55)31(56)38(62-17)65-33-23(16-46)64-37(61-12-10-8-6-5-7-9-11-24(51)60-4)26(43-19(3)48)35(33)66-39-32(57)36(29(54)22(15-45)63-39)68-41(40(58)59)13-20(49)25(42-18(2)47)34(67-41)28(53)21(50)14-44/h17,20-23,25-39,44-46,49-50,52-57H,5-16H2,1-4H3,(H,42,47)(H,43,48)(H,58,59)/p-1/t17-,20-,21+,22+,23+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37+,38-,39-,41-/m0/s1

inchikey

  • MRVHODPGJNSPTI-KYXCDNDQSA-M

mass

  • 989.993

monoisotopicmass

  • 989.41949

smiles

  • O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2O[C@H]([C@H]([C@H]([C@@H]2O)O)O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@]4(O[C@@]([C@@H]([C@H](C4)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C([O-])=O)O)NC(=O)C)CCCCCCCCC(OC)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145985

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