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: N-[(2S,4aS,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide
Accession: CHEBI:95475
browse the term
Definition: A pyrazine that has formula C28H35N5O5.
Synonyms: related_synonym: Formula=C28H35N5O5; InChI=1S/C28H35N5O5/c1-33-23-9-8-20(14-26(34)31-15-18-5-3-2-4-6-18)38-25(23)17-37-24-10-7-19(13-21(24)28(33)36)32-27(35)22-16-29-11-12-30-22/h7,10-13,16,18,20,23,25H,2-6,8-9,14-15,17H2,1H3,(H,31,34)(H,32,35)/t20-,23-,25-/m0/s1; InChIKey=KUAQBUHJEIVZQC-OPHFCASCSA-N; SMILES=CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)NCC5CCCCC5
xref: LINCS:LSM-6854
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
494
chemical entity
501
atom
494
nonmetal atom
487
nitrogen atom
419
nitrogen molecular entity
411
organonitrogen compound
404
carboxamide
306
secondary carboxamide
91
N-[(2S,4aS,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide
0
Path 2
CHEBI ontology
494
subatomic particle
494
composite particle
494
hadron
501
baryon
494
nucleon
494
atomic nucleus
494
atom
494
main group element atom
487
p-block element atom
487
carbon group element atom
476
carbon atom
482
organic molecular entity
475
heteroorganic entity
471
organochalcogen compound
425
organooxygen compound
423
carbon oxoacid
364
carboxylic acid
364
carboacyl group
305
univalent carboacyl group
305
carbamoyl group
303
carboxamide
306
secondary carboxamide
91
N-[(2S,4aS,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide
0