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-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Accession: CHEBI:157029
browse the term
Synonyms: related_synonym: Formula=C48H81N3O35; Gal(a1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-3)[GlcNAc(b1-6)]Gal(b1-3)a-GalNAc; InChI=1S/C48H81N3O35/c1-11-24(60)32(68)34(70)45(75-11)86-41-40(85-44-23(51-14(4)59)38(28(64)18(8-55)78-44)83-46-35(71)33(69)26(62)16(6-53)79-46)29(65)19(9-56)80-48(41)84-39-30(66)20(10-74-43-21(49-12(2)57)31(67)25(61)15(5-52)77-43)81-47(36(39)72)82-37-22(50-13(3)58)42(73)76-17(7-54)27(37)63/h11,15-48,52-56,60-73H,5-10H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)/t11-,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-/m0/s1; InChIKey=OVIGVJPDESTOFH-LXYUUWNOSA-N; SMILES=O([C@@H]1[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@H](O[C@H]3[C@@H](O)[C@H](O[C@@H](O[C@@H]4[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]4O)CO)O)[C@@H]3O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)O[C@@H]([C@@H]1O)CO)[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]6NC(=O)C)CO; WURCS=2.0/5,7,6/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2-3-1-4-5/a3-b1_b3-c1_b6-g1_c2-d1_c3-e1_e3-f1; alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
xref: GlyGen:G64029DP; GlyTouCan:G64029DP
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19887
chemical entity
19885
atom
19885
nonmetal atom
19809
oxygen atom
19551
oxygen molecular entity
19551
organooxygen compound
19197
carbohydrates and carbohydrate derivatives
15309
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
0
Path 2
CHEBI ontology
19887
subatomic particle
19885
composite particle
19885
hadron
19885
baryon
19885
nucleon
19885
atomic nucleus
19885
atom
19885
main group element atom
19824
p-block element atom
19824
carbon group element atom
19763
carbon atom
19760
organic molecular entity
19760
heteroorganic entity
19521
organochalcogen compound
19282
organooxygen compound
19197
carbohydrates and carbohydrate derivatives
15309
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
0