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,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Accession: CHEBI:148030
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Synonyms: related_synonym: 2-acetamido-2-deoxy-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose; Formula=C20H35NO19S; GalNAc3S(b1-4)Gal(b1-4)b-Glc; InChI=1S/C20H35NO19S/c1-5(25)21-9-17(40-41(32,33)34)10(26)6(2-22)36-19(9)38-16-8(4-24)37-20(14(30)12(16)28)39-15-7(3-23)35-18(31)13(29)11(15)27/h6-20,22-24,26-31H,2-4H2,1H3,(H,21,25)(H,32,33,34)/t6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17-,18-,19+,20+/m1/s1; InChIKey=NTIRDYSZMLPSPS-JKEPNSHNSA-N; SMILES=S(O[C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O; WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_3*OSO/3=O/3=O]/1-2-3/a4-b1_b4-c1
xref: GlyGen:G15948XY; GlyTouCan:G15948XY
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19834
chemical entity
19832
atom
19832
nonmetal atom
19770
oxygen atom
19513
oxygen molecular entity
19513
organooxygen compound
19165
carbohydrates and carbohydrate derivatives
15288
glycan
8323
oligosaccharide
618
[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
0
Path 2
CHEBI ontology
19834
subatomic particle
19832
composite particle
19832
hadron
19832
baryon
19832
nucleon
19832
atomic nucleus
19832
atom
19832
main group element atom
19782
p-block element atom
19782
carbon group element atom
19731
carbon atom
19727
organic molecular entity
19727
heteroorganic entity
19484
organochalcogen compound
19248
organooxygen compound
19165
carbohydrates and carbohydrate derivatives
15288
carbohydrate
15288
oligosaccharide
618
[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
0