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
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5223
chemical entity
5222
atom
5213
nonmetal atom
5179
oxygen atom
5050
oxygen molecular entity
5050
organooxygen compound
4862
carbohydrates and carbohydrate derivatives
125
(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
0
Path 2
CHEBI ontology
5223
subatomic particle
5213
composite particle
5213
hadron
5213
baryon
5213
nucleon
5213
atomic nucleus
5213
atom
5213
main group element atom
5185
p-block element atom
5182
carbon group element atom
5099
carbon atom
5098
organic molecular entity
5098
heteroorganic entity
4943
organochalcogen compound
4896
organooxygen compound
4862
carbohydrates and carbohydrate derivatives
125
(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
0