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,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
Accession: CHEBI:110492
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Definition: An urea that has formula C25H29N3O5.
Synonyms: related_synonym: Formula=C25H29N3O5; InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)26-13-15-6-7-15)19-10-17(8-9-21(19)33-24)28-25(31)27-16-4-2-1-3-5-16/h1-5,8-10,15,18,20,22,24,29H,6-7,11-14H2,(H,26,30)(H2,27,28,31)/t18-,20-,22+,24+/m1/s1; InChIKey=TUZKBHQBMODFEV-NROSNUSPSA-N; SMILES=C1CC1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5
xref: LINCS:LSM-21939
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19838
role
19814
application
19658
agrochemical
16285
fertilizer
13818
urea
5579
ureas
5577
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
0
Path 2
CHEBI ontology
19838
subatomic particle
19836
composite particle
19836
hadron
19836
baryon
19836
nucleon
19836
atomic nucleus
19836
atom
19836
main group element atom
19786
p-block element atom
19786
carbon group element atom
19734
carbon atom
19731
organic molecular entity
19731
heteroorganic entity
19488
organochalcogen compound
19251
organooxygen compound
19168
carbon oxoacid
18637
carboxylic acid
18634
carboacyl group
17696
univalent carboacyl group
17696
carbamoyl group
17546
carboxamide
17546
monocarboxylic acid amide
15681
urea
5579
ureas
5577
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
0