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,5R,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxyoxan-3-yl]acetamide
Accession: CHEBI:156659
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Synonyms: related_synonym: 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose; Formula=C54H91N3O39; Fuc(a1-3)GlcNAc(b1-6)[Gal(b1-3)]Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]a-GalNAc; InChI=1S/C54H91N3O39/c1-12-26(65)33(72)37(76)50(84-12)94-44-24(56-15(4)63)48(87-19(8-60)30(44)69)83-11-22-32(71)46(96-53-40(79)36(75)29(68)18(7-59)89-53)41(80)54(91-22)93-43-23(55-14(3)62)47(81)86-21(31(43)70)10-82-49-25(57-16(5)64)45(95-51-38(77)34(73)27(66)13(2)85-51)42(20(9-61)90-49)92-52-39(78)35(74)28(67)17(6-58)88-52/h12-13,17-54,58-61,65-81H,6-11H2,1-5H3,(H,55,62)(H,56,63)(H,57,64)/t12-,13-,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-,53-,54-/m0/s1; InChIKey=OSBZJTZCIBKGHQ-GUPULEJKSA-N; SMILES=O1[C@@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO[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)[C@H]5NC(=O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H]1CO; WURCS=2.0/4,8,7/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-3-4-2/a3-b1_a6-f1_b3-c1_b6-d1_d3-e1_f3-g1_f4-h1
xref: GlyGen:G21696DT; GlyTouCan:G21696DT
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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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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N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxyoxan-3-yl]acetamide
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Path 2
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carbon atom
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organic molecular 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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N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxyoxan-3-yl]acetamide
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