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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > organooxygen compound > ester > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate sulfate > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > oligosaccharide sulfate > (2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid

Preferred term

(2r,3r,4r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-2-carboxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3r,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C37H59NO35S

inchi

  • InChI=1S/C37H59NO35S/c1-7(44)38-13-25(67-34-20(52)17(49)18(50)29(71-34)31(56)57)24(73-74(60,61)62)12(6-43)66-33(13)70-28-19(51)21(53)35(72-30(28)32(58)59)68-27-16(48)11(5-42)65-37(23(27)55)69-26-15(47)10(4-41)64-36(22(26)54)63-9(3-40)14(46)8(45)2-39/h8-17,19-28,30,33-37,39-43,45-55H,2-6H2,1H3,(H,38,44)(H,56,57)(H,58,59)(H,60,61,62)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17-,19+,20+,21+,22+,23+,24-,25+,26-,27-,28-,30-,33-,34+,35+,36+,37-/m0/s1

inchikey

  • PVBHGFPYZBNNOU-PKCWBBQUSA-N

mass

  • 1109.910

monoisotopicmass

  • 1109.25883

smiles

  • S(O[C@@H]1[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](NC(=O)C)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)CO)[C@@H]5O)CO)O[C@@H]3C(O)=O)O[C@@H]1CO)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/5,6,5/[h212h][a2112h-1b_1-5][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2-2-3-4-5/a4-b1_b3-c1_c3-d1_d4-e1_e3-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151618

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