Concept information
Preferred term
n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4s,5s,6r)-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)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-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
- C32H55NO25
inchi
- InChI=1S/C32H55NO25/c1-7-14(39)19(44)22(47)30(50-7)58-27-26(57-29-13(33-8(2)38)18(43)15(40)9(3-34)52-29)17(42)11(5-36)54-32(27)56-25-16(41)10(4-35)53-31(23(25)48)55-24-12(6-37)51-28(49)21(46)20(24)45/h7,9-32,34-37,39-49H,3-6H2,1-2H3,(H,33,38)/t7-,9+,10+,11+,12+,13+,14+,15-,16-,17-,18+,19+,20+,21+,22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32-/m0/s1
inchikey
- ACBXNNMAKJQBDC-HRYORXHHSA-N
mass
- 853.774
monoisotopicmass
- 853.30632
smiles
- O([C@@H]1O[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]1O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@@H]4[C@@H](O)[C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]5CO)O
subset
- 2_STAR
synonym RELATED
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)Gal(b1-4)b-Glc
- WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-2-3-4/a4-b1_b3-c1_c2-d1_c3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150892
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