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: 1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
Accession: CHEBI:182485
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Synonyms: related_synonym: Formula=C21H26N2O2; InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3-/t15-,16?,19-,20-,21+/m0/s1; InChIKey=IJTKEUDLEABZCZ-AZHNSMQPSA-N; SMILES=OCC1[C@@]2(N(C=3C([C@@]42[C@]5(N(CC4)C\\C(\\[C@@]1(C5)[H])=C\\C)[H])=CC=CC3)C(=O)C)[H]
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
role
19818
biological role
19785
biochemical role
19496
metabolite
19484
alkaloid
7817
1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
0
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
19705
heteroorganic entity
19459
organonitrogen compound
18783
alkaloid
7817
1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
0