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-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Accession: CHEBI:150761
browse the term
Synonyms: related_synonym: Formula=C39H67N3O32S; InChI=1S/C39H67N3O32S/c1-11(47)40-14(5-43)31(71-36-29(59)28(58)25(55)20(70-36)10-67-75(63,64)65)24(54)17(52)9-66-35-22(42-13(3)49)27(57)32(19(8-46)69-35)72-37-30(60)34(26(56)18(7-45)68-37)74-39(38(61)62)4-15(50)21(41-12(2)48)33(73-39)23(53)16(51)6-44/h14-37,43-46,50-60H,4-10H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)(H,63,64,65)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,39-/m0/s1; InChIKey=STJRUWDJNNDRBS-DWFIDZQRSA-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@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O; WURCS=2.0/5,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5/a3-b1_a6-c1_c4-d1_d3-e2
xref: GlyGen:G42772WO; GlyTouCan:G42772WO
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22192
role
22177
chemical role
21421
catalyst
8572
sulfuric acid
8519
sulfuric acid derivative
8519
organic sulfate
2532
carbohydrate sulfate
2008
oligosaccharide sulfate
2
(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
0
Path 2
CHEBI ontology
22192
subatomic particle
22184
composite particle
22184
hadron
22184
baryon
22184
nucleon
22184
atomic nucleus
22184
atom
22184
main group element atom
22118
p-block element atom
22118
chalcogen
21446
oxygen atom
21425
oxygen molecular entity
21425
hydroxides
20803
oxoacid
20116
chalcogen oxoacid
14385
sulfur oxoacid
14170
sulfuric acid
8519
sulfuric acid derivative
8519
sulfates
8514
organic sulfate
2532
carbohydrate sulfate
2008
oligosaccharide sulfate
2
(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
0