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)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
Accession: CHEBI:98276
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Definition: An urea that has formula C30H33N3O6.
Synonyms: related_synonym: Formula=C30H33N3O6; InChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25+,27+,29-/m1/s1; InChIKey=FOSRSIPYUZSGIW-KYYACDKCSA-N; SMILES=COC1=CC=C(C=C1)NC(=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-9655
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19832
role
19808
application
19651
agrochemical
16293
fertilizer
13824
urea
5579
ureas
5577
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
0
Path 2
CHEBI ontology
19832
subatomic particle
19830
composite particle
19830
hadron
19830
baryon
19830
nucleon
19830
atomic nucleus
19830
atom
19830
main group element atom
19780
p-block element atom
19780
carbon group element atom
19729
carbon atom
19725
organic molecular entity
19725
heteroorganic entity
19479
organochalcogen compound
19242
organooxygen compound
19157
carbon oxoacid
18615
carboxylic acid
18612
carboacyl group
17703
univalent carboacyl group
17703
carbamoyl group
17553
carboxamide
17553
monocarboxylic acid amide
15684
urea
5579
ureas
5577
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
0