Concept information
Preferred term
n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-4-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-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
- C30H51N3O21
inchi
- InChI=1S/C30H51N3O21/c1-8(38)31-15-21(44)18(41)11(4-34)49-28(15)52-24-14(7-37)51-30(54-26-20(43)13(6-36)48-27(47)23(26)46)17(33-10(3)40)25(24)53-29-16(32-9(2)39)22(45)19(42)12(5-35)50-29/h11-30,34-37,41-47H,4-7H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t11-,12-,13-,14-,15-,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26+,27?,28+,29-,30+/m1/s1
inchikey
- JJATUNWGOKJHRW-XESYPOLESA-N
mass
- 789.738
monoisotopicmass
- 789.30151
smiles
- O([C@H]1[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](O[C@H]3[C@@H](O)[C@H](OC(O)[C@@H]3O)CO)[C@@H]1NC(=O)C)CO)[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- 2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-D-galacto-hexopyranose
- GlcNAc(a1-3)[GalNAc(b1-4)]GalNAc(b1-3)Gal
- WURCS=2.0/3,4,3/[a2112h-1x_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2/a3-b1_b3-c1_b4-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150878
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