Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5r,6s)-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C34H58N2O26
inchi
- InChI=1S/C34H58N2O26/c1-8(41)35-15-20(46)17(43)10(3-37)56-32(15)62-29-19(45)14(59-34(26(29)52)61-28-12(5-39)55-30(53)24(50)23(28)49)7-54-31-16(36-9(2)42)21(47)27(13(6-40)58-31)60-33-25(51)22(48)18(44)11(4-38)57-33/h10-34,37-40,43-53H,3-7H2,1-2H3,(H,35,41)(H,36,42)/t10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34+/m1/s1
inchikey
- SBJUCDDVBJKQOW-FVFODIQKSA-N
mass
- 910.826
monoisotopicmass
- 910.32778
smiles
- O1[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O)[C@@H]1O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)CO[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]Gal(b1-4)b-Glc
- WURCS=2.0/3,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3-2/a4-b1_b3-c1_b6-d1_d4-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148566
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