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Chemistry, part 1

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... > 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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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-[(2r,3s,4s)-1,2,5-trihydroxy-4-phosphonooxypentan-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

  • C37H60NO38PS

inchi

  • InChI=1S/C37H60NO38PS/c1-7(44)38-13-25(69-34-19(51)16(48)17(49)29(73-34)31(55)56)24(76-78(62,63)64)11(5-42)67-33(13)72-28-18(50)20(52)35(74-30(28)32(57)58)70-26-14(46)10(4-41)66-37(22(26)54)71-27-15(47)9(3-40)65-36(21(27)53)68-23(8(45)2-39)12(6-43)75-77(59,60)61/h8-16,18-28,30,33-37,39-43,45-54H,2-6H2,1H3,(H,38,44)(H,55,56)(H,57,58)(H2,59,60,61)(H,62,63,64)/t8-,9-,10-,11-,12+,13-,14+,15+,16+,18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28+,30+,33+,34-,35-,36+,37+/m1/s1

inchikey

  • BAQCCDGAAKVPPE-FASWSSDNSA-N

mass

  • 1189.890

monoisotopicmass

  • 1189.22516

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]([C@@H](OP(O)(O)=O)CO)[C@H](O)CO)[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/[h212h_2*OPO/3O/3=O][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/a3-b1_b3-c1_c3-d1_d4-e1_e3-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153917

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