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-[(2S,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
Accession: CHEBI:99983
browse the term
Definition: An urea that has formula C30H38ClN5O5.
Synonyms: related_synonym: Formula=C30H38ClN5O5; InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25+,27-/m0/s1; InChIKey=XIGYLWQKLZSYNZ-RELGLDOUSA-N; SMILES=CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5
xref: LINCS:LSM-11362
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
26041
role
25957
application
25179
agrochemical
17538
fertilizer
14612
urea
5724
ureas
5722
2-[(2S,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
0
Path 2
CHEBI ontology
26041
subatomic particle
26016
composite particle
26016
hadron
26016
baryon
26016
nucleon
26016
atomic nucleus
26016
atom
26016
main group element atom
25841
p-block element atom
25841
carbon group element atom
25441
carbon atom
25399
organic molecular entity
25399
heteroorganic entity
24773
organochalcogen compound
24384
organooxygen compound
24061
carbon oxoacid
22757
carboxylic acid
22737
carboacyl group
20074
univalent carboacyl group
20074
carbamoyl group
19588
carboxamide
19588
monocarboxylic acid amide
16976
urea
5724
ureas
5722
2-[(2S,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
0