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: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Accession: CHEBI:100947
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Definition: A furopyran that has formula C27H32N2O5.
Synonyms: related_synonym: Formula=C27H32N2O5; InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22-,24-,26+/m0/s1; InChIKey=XBPCNRNKOXKUQA-IFPZXYOKSA-N; SMILES=C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5
xref: LINCS:LSM-12320
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
494
chemical entity
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molecular entity
494
polyatomic entity
487
molecule
475
cyclic compound
449
homocyclic compound
190
carbocyclic compound
190
cyclobutanes
0
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
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Path 2
CHEBI ontology
494
subatomic particle
494
composite particle
494
hadron
501
baryon
494
nucleon
494
atomic nucleus
494
atom
494
main group element atom
487
p-block element atom
487
carbon group element atom
476
carbon atom
482
organic molecular entity
475
organic molecule
466
organic cyclic compound
449
organic heterocyclic compound
419
organic heteropolycyclic compound
96
organic heterobicyclic compound
44
furopyran
0
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
0