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,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide
Accession: CHEBI:102582
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Definition: An aromatic ether that has formula C26H36N4O5.
Synonyms: related_synonym: Formula=C26H36N4O5; InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23+/m0/s1; InChIKey=OPKRVFTXMKZUJR-XKCSPQBFSA-N; SMILES=CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5
xref: LINCS:LSM-13929
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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group
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polyatomic entity
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molecule
19702
organic molecule
19658
organic cyclic compound
19471
organic aromatic compound
19341
aromatic ether
16529
2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide
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Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
main group molecular entity
19759
p-block molecular entity
19759
carbon group molecular entity
19708
organic molecular entity
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heteroorganic entity
19459
organochalcogen compound
19222
organooxygen compound
19137
ether
17284
aromatic ether
16529
2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide
0