Concept information
Preferred term
(2s,3s,4s,5r,6r)-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C40H66N2O32
inchi
- InChI=1S/C40H66N2O32/c1-8(48)41-15-20(53)28(69-39-27(60)32(19(52)12(5-45)66-39)73-38-25(58)21(54)22(55)33(74-38)34(61)62)14(7-47)68-36(15)71-30-16(42-9(2)49)37(65-10(3-43)17(30)50)72-31-18(51)11(4-44)67-40(26(31)59)70-29-13(6-46)64-35(63)24(57)23(29)56/h10-33,35-40,43-47,50-60,63H,3-7H2,1-2H3,(H,41,48)(H,42,49)(H,61,62)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,35-,36+,37+,38-,39+,40+/m1/s1
inchikey
- AFUPFSLYPVQYEL-HQISXKSFSA-N
mass
- 1086.950
monoisotopicmass
- 1086.35987
smiles
- O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- beta-D-gluco-hexopyranosyluronic acid-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- GlcA(b1-3)Gal(b1-4)GlcNAc(b1-3)GalNAc(b1-3)Gal(b1-4)b-Glc
- WURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3-4-2-5/a4-b1_b3-c1_c3-d1_d4-e1_e3-f1
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:153977
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