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-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
Accession: CHEBI:99510
browse the term
Definition: A piperidine that has formula C27H37N3O4S.
Synonyms: related_synonym: Formula=C27H37N3O4S; InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23+,24+,25-/m0/s1; InChIKey=XKLJDQDBSRSGED-LIONHTAISA-N; SMILES=C1C[C@@H]2[C@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
xref: LINCS:LSM-10889
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
26041
chemical entity
26020
atom
26016
nonmetal atom
25505
nitrogen atom
22541
nitrogen molecular entity
22541
organonitrogen compound
21934
organonitrogen heterocyclic compound
20345
piperidines
8196
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
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
organic molecule
25228
organic cyclic compound
24281
organic heterocyclic compound
22324
organic heteromonocyclic compound
19228
piperidines
8196
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
0