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: (3S,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
Accession: CHEBI:99612
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Definition: An urea that has formula C26H34N4O6.
Synonyms: related_synonym: Formula=C26H34N4O6; InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20+,22+,24-/m0/s1; InChIKey=YKBSBMDVZJDWJN-IKJKNFHUSA-N; SMILES=COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCCC4=CC=NC=C4)O
xref: LINCS:LSM-10991
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22210
role
22195
application
21776
agrochemical
16971
fertilizer
14251
urea
5748
ureas
5746
(3S,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
0
Path 2
CHEBI ontology
22210
subatomic particle
22202
composite particle
22202
hadron
22202
baryon
22202
nucleon
22202
atomic nucleus
22202
atom
22202
main group element atom
22136
p-block element atom
22136
carbon group element atom
21936
carbon atom
21861
organic molecular entity
21861
heteroorganic entity
21517
organochalcogen compound
21005
organooxygen compound
20846
carbon oxoacid
19634
carboxylic acid
19630
carboacyl group
18296
univalent carboacyl group
18296
carbamoyl group
18108
carboxamide
18108
monocarboxylic acid amide
15839
urea
5748
ureas
5746
(3S,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
0