CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Accession: CHEBI:152143
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Synonyms: related_synonym: Formula=C52H90N2O41; InChI=1S/C52H90N2O41/c1-12(63)53-14(3-55)24(66)40(15(65)4-56)90-46-23(54-13(2)64)31(73)41(21(10-62)88-46)91-50-39(81)43(30(72)22(89-50)11-82-47-36(78)32(74)25(67)16(5-57)83-47)93-51-45(35(77)28(70)18(7-59)86-51)95-52-44(34(76)27(69)19(8-60)87-52)94-49-38(80)42(29(71)20(9-61)85-49)92-48-37(79)33(75)26(68)17(6-58)84-48/h14-52,55-62,65-81H,3-11H2,1-2H3,(H,53,63)(H,54,64)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,50-,51+,52+/m0/s1; InChIKey=JJPODKWVKFYXTN-KOJDZYSMSA-N; SMILES=O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)O[C@@H]([C@H]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@@H]6O)CO)CO)CO; WURCS=2.0/4,8,7/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e2-f1_f3-g1
xref: GlyGen:G60370CP; GlyTouCan:G60370CP
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Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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nonmetal atom
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oxygen atom
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oxygen molecular entity
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organooxygen compound
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carbohydrates and carbohydrate derivatives
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glycan
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oligosaccharide
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N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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Path 2
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subatomic particle
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hadron
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atomic nucleus
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main group element atom
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carbon group element atom
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carbon atom
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organic molecular entity
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heteroorganic entity
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organochalcogen compound
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organooxygen compound
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carbohydrates and carbohydrate derivatives
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carbohydrate
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oligosaccharide
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N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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