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,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-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:100488
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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-RMVXJAJNSA-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-11862
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CHEBI ontology
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chemical entity
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atom
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nonmetal atom
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nitrogen atom
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nitrogen molecular entity
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organonitrogen compound
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carboxamide
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secondary carboxamide
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2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-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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CHEBI ontology
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organochalcogen compound
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carbon oxoacid
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carboxylic acid
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carboacyl group
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carbamoyl group
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carboxamide
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secondary carboxamide
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2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-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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