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: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
Accession: CHEBI:155244
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Synonyms: related_synonym: Formula=C42H73N3O40S3; InChI=1S/C42H73N3O40S3/c1-11(49)43-14(4-46)34(23(53)15(52)7-73-38-21(44-12(2)50)27(57)35(16(5-47)77-38)83-40-31(61)29(59)24(54)18(79-40)8-74-86(64,65)66)82-42-33(63)37(26(56)20(81-42)10-76-88(70,71)72)85-39-22(45-13(3)51)28(58)36(17(6-48)78-39)84-41-32(62)30(60)25(55)19(80-41)9-75-87(67,68)69/h14-42,46-48,52-63H,4-10H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,64,65,66)(H,67,68,69)(H,70,71,72)/t14-,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-/m0/s1; InChIKey=YOWQGOZDCFWUFM-WRYGGDNPSA-N; SMILES=S(OC[C@H]1O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)COS(O)(=O)=O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@H](O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)COS(O)(=O)=O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]1O)(O)(=O)=O; WURCS=2.0/3,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_a6-e1_b3-c1_c4-d1_e4-f1
xref: GlyGen:G94850KK; GlyTouCan:G94850KK
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19834
role
19810
chemical role
19445
catalyst
8290
sulfuric acid
8239
sulfuric acid derivative
8239
organic sulfate
2273
carbohydrate sulfate
1753
oligosaccharide sulfate
2
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 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
chalcogen
19537
oxygen atom
19511
oxygen molecular entity
19511
hydroxides
19321
oxoacid
18742
chalcogen oxoacid
13764
sulfur oxoacid
13552
sulfuric acid
8239
sulfuric acid derivative
8239
sulfates
8234
organic sulfate
2273
carbohydrate sulfate
1753
oligosaccharide sulfate
2
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
0