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-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Accession: CHEBI:102206
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Definition: An urea that has formula C29H28FN3O7.
Synonyms: related_synonym: Formula=C29H28FN3O7; InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20+,26-,28-/m0/s1; InChIKey=QUTKLMAKSFRFCA-QARCYOLKSA-N; SMILES=C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
xref: LINCS:LSM-13564
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Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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role
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application
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agrochemical
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fertilizer
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urea
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ureas
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2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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Path 2
CHEBI ontology
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subatomic particle
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composite particle
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hadron
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baryon
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nucleon
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atomic nucleus
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atom
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main group element atom
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p-block element atom
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carbon group element atom
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carbon atom
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organic molecular entity
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heteroorganic entity
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organochalcogen compound
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organooxygen compound
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carbon oxoacid
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carboxylic acid
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carboacyl group
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univalent carboacyl group
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carbamoyl group
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carboxamide
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monocarboxylic acid amide
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urea
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ureas
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2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
0