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-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Accession: CHEBI:97981
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Definition: A pyrazine that has formula C23H27FN4O5.
Synonyms: related_synonym: Formula=C23H27FN4O5; InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18+,20+,21-/m1/s1; InChIKey=AVCDQRNGDYLZTC-YXYSEUPNSA-N; SMILES=C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)F
xref: LINCS:LSM-9360
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
26034
chemical entity
26024
atom
26009
nonmetal atom
25498
nitrogen atom
22541
nitrogen molecular entity
22528
organonitrogen compound
21922
carboxamide
19580
secondary carboxamide
1285
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
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Path 2
CHEBI ontology
26034
subatomic particle
26009
composite particle
26009
hadron
26020
baryon
26009
nucleon
26009
atomic nucleus
26009
atom
26009
main group element atom
25834
p-block element atom
25834
carbon group element atom
25434
carbon atom
25403
organic molecular entity
25392
heteroorganic entity
24766
organochalcogen compound
24378
organooxygen compound
24054
carbon oxoacid
22749
carboxylic acid
22729
carboacyl group
20055
univalent carboacyl group
20055
carbamoyl group
19568
carboxamide
19580
secondary carboxamide
1285
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
0