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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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-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

  • C37H57NO35S

inchi

  • InChI=1S/C37H57NO35S/c1-6(42)38-11-24(67-34-19(50)15(46)16(47)28(71-34)30(54)55)23(73-74(59,60)61)9(4-41)65-33(11)70-27-17(48)20(51)35(72-29(27)31(56)57)68-26-14(45)8(3-40)64-37(22(26)53)69-25-13(44)7(2-39)63-36(21(25)52)66-10-5-62-32(58)18(49)12(10)43/h7-15,17-27,29,32-37,39-41,43-53,58H,2-5H2,1H3,(H,38,42)(H,54,55)(H,56,57)(H,59,60,61)/t7-,8-,9-,10-,11-,12+,13+,14+,15+,17-,18-,19-,20-,21-,22-,23+,24-,25+,26+,27+,29+,32-,33+,34-,35-,36+,37+/m1/s1

inchikey

  • MGFGLVYWIBQGQC-BZOJDFQOSA-N

mass

  • 1107.900

monoisotopicmass

  • 1107.24318

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]5[C@@H](O)[C@H](O[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](OC6)O)[C@@H]5O)CO)O[C@@H]([C@@H]4O)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/[a212h-1b_1-5][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:155048

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