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,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
Accession: CHEBI:117352
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Definition: A furopyran that has formula C22H31N3O5.
Synonyms: related_synonym: Formula=C22H31N3O5; InChI=1S/C22H31N3O5/c1-25(2)20(27)11-15-10-17-16-9-14(24-22(28)23-13-5-3-4-6-13)7-8-18(16)30-21(17)19(12-26)29-15/h7-9,13,15,17,19,21,26H,3-6,10-12H2,1-2H3,(H2,23,24,28)/t15-,17+,19+,21-/m1/s1; InChIKey=ZQPIRYHZQRYESG-ZWVMGRIOSA-N; SMILES=CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4
xref: LINCS:LSM-28801
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Path 1
CHEBI ontology
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chemical entity
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atom
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nonmetal atom
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oxygen atom
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oxygen molecular entity
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organooxygen compound
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oxacycle
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furopyran
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2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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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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organic molecule
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organic cyclic compound
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organic heterocyclic compound
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organic heteropolycyclic compound
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organic heterobicyclic compound
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furopyran
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2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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