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: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Accession: CHEBI:148131
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Synonyms: related_synonym: 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-6-O-acetyl-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose; Formula=C25H41NO20; InChI=1S/C25H41NO20/c1-7(29)26-13-9(31)3-25(24(39)40,45-20(13)14(33)10(32)4-27)46-21-15(34)12(6-41-8(2)30)43-23(18(21)37)44-19-11(5-28)42-22(38)17(36)16(19)35/h9-23,27-28,31-38H,3-6H2,1-2H3,(H,26,29)(H,39,40)/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1; InChIKey=JWGNMDORWNBJPS-KOKJUCRYSA-N; NeuAc(a2-3)Gal6Ac(b1-4)b-Glc; SMILES=O([C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)COC(=O)C)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O; WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5_6*OCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
xref: GlyGen:G19243KM; GlyTouCan:G19243KM
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Path 1
CHEBI ontology
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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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(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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Path 2
CHEBI ontology
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atomic nucleus
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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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(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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