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,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-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-2,3,6-trihydroxyhexoxy]-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Accession: CHEBI:154327
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Synonyms: related_synonym: Formula=C54H93N3O38; InChI=1S/C54H93N3O38/c1-13-27(67)35(75)39(79)50(83-13)91-43-24(11-62)89-48(26(57-18(6)65)44(43)92-49-25(56-17(5)64)34(74)31(71)21(8-59)86-49)82-12-20(66)30(70)42(19(7-58)55-16(4)63)90-54-47(95-52-41(81)37(77)29(69)15(3)85-52)45(33(73)23(10-61)88-54)93-53-46(38(78)32(72)22(9-60)87-53)94-51-40(80)36(76)28(68)14(2)84-51/h13-15,19-54,58-62,66-81H,7-12H2,1-6H3,(H,55,63)(H,56,64)(H,57,65)/t13-,14-,15-,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=KVBDPFVENZPLQH-LJEGFGCZSA-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](OC[C@@H](O)[C@H](O)[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[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]3O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@H]6O)C)CO)[C@@H](NC(=O)C)CO)[C@@H]1NC(=O)C)CO)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO; WURCS=2.0/4,8,7/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-4-4-3/a3-b1_a6-f1_b2-c1_b3-d1_d2-e1_f3-g1_f4-h1
xref: GlyGen:G85392NL; GlyTouCan:G85392NL
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
20845
chemical entity
20843
atom
20843
nonmetal atom
20751
oxygen atom
20443
oxygen molecular entity
20443
organooxygen compound
19792
carbohydrates and carbohydrate derivatives
15420
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-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-2,3,6-trihydroxyhexoxy]-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
0
Path 2
CHEBI ontology
20845
subatomic particle
20843
composite particle
20843
hadron
20843
baryon
20843
nucleon
20843
atomic nucleus
20843
atom
20843
main group element atom
20766
p-block element atom
20766
carbon group element atom
20699
carbon atom
20693
organic molecular entity
20693
heteroorganic entity
20202
organochalcogen compound
19890
organooxygen compound
19792
carbohydrates and carbohydrate derivatives
15420
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-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-2,3,6-trihydroxyhexoxy]-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
0