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-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
Accession: CHEBI:117379
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Definition: A furopyran that has formula C27H34N4O5.
Synonyms: related_synonym: Formula=C27H34N4O5; InChI=1S/C27H34N4O5/c32-16-24-26-22(12-20(35-24)13-25(33)29-15-17-5-4-10-28-14-17)21-11-19(8-9-23(21)36-26)31-27(34)30-18-6-2-1-3-7-18/h4-5,8-11,14,18,20,22,24,26,32H,1-3,6-7,12-13,15-16H2,(H,29,33)(H2,30,31,34)/t20-,22+,24-,26-/m1/s1; InChIKey=OBJFROVCRIKTIC-FWSIMYTDSA-N; SMILES=C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CN=CC=C5
xref: LINCS:LSM-28828
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5066
chemical entity
5066
atom
5057
nonmetal atom
5019
oxygen atom
4896
oxygen molecular entity
4896
organooxygen compound
4703
oxacycle
4534
furopyran
0
2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
0
Path 2
CHEBI ontology
5066
subatomic particle
5057
composite particle
5057
hadron
5057
baryon
5057
nucleon
5057
atomic nucleus
5057
atom
5057
main group element atom
5026
p-block element atom
5023
carbon group element atom
4940
carbon atom
4939
organic molecular entity
4939
organic molecule
4887
organic cyclic compound
4825
organic heterocyclic compound
4614
organic heteropolycyclic compound
4414
organic heterobicyclic compound
141
furopyran
0
2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
0