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: (1S,2R,5R,6R,7R,8R,11S,12R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
Accession: CHEBI:95220
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Definition: An aminoglycoside that has formula C42H78N2O14.
Synonyms: related_synonym: Formula=C42H78N2O14; InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25-,26-,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37?,39+,40?,41-,42-/m1/s1; InChIKey=WLOHNSSYAXHWNR-ACXHRFKYSA-N; SMILES=CC[C@H]1[C@@](C2[C@H]([C@H]([C@@H](CC([C@@H]([C@@H]([C@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)NC(O2)COCCOC)C)(C)O
xref: LINCS:LSM-6519
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5052
chemical entity
5080
atom
5043
nonmetal atom
5006
oxygen atom
4910
oxygen molecular entity
4883
organooxygen compound
4692
carbohydrates and carbohydrate derivatives
123
carbohydrate derivative
114
aminoglycoside
14
(1S,2R,5R,6R,7R,8R,11S,12R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
0
Path 2
CHEBI ontology
5052
subatomic particle
5043
composite particle
5043
hadron
5071
baryon
5043
nucleon
5043
atomic nucleus
5043
atom
5043
main group element atom
5013
p-block element atom
5010
carbon group element atom
4927
carbon atom
4954
organic molecular entity
4926
heteroorganic entity
4768
organochalcogen compound
4730
organooxygen compound
4692
carbohydrates and carbohydrate derivatives
123
carbohydrate
125
carbohydrate derivative
114
glycosyl compound
50
glycoside
25
aminoglycoside
14
(1S,2R,5R,6R,7R,8R,11S,12R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
0