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: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
Accession: CHEBI:101792
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Definition: An imidazolyl carboxylic acid that has formula C16H25N3O7S.
Synonyms: related_synonym: Formula=C16H25N3O7S; InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12+,13+,14-/m0/s1; InChIKey=HDTRYUIMSWCRLO-DGAVXFQQSA-N; SMILES=CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)OC)O
xref: LINCS:LSM-13154
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19834
chemical entity
19832
atom
19832
nonmetal atom
19770
nitrogen atom
18959
nitrogen molecular entity
18959
organonitrogen compound
18809
organonitrogen heterocyclic compound
18150
azole
14370
diazole
10481
imidazoles
9883
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
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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
carbon group element atom
19730
carbon atom
19727
organic molecular entity
19727
organic molecule
19680
organic cyclic compound
19492
organic heterocyclic compound
18854
heteroarene
17135
monocyclic heteroarene
14869
azole
14370
diazole
10481
imidazoles
9883
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
0