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,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
Accession: CHEBI:97450
browse the term
Definition: A pyrazine that has formula C32H36N6O5.
Synonyms: related_synonym: Formula=C32H36N6O5; InChI=1S/C32H36N6O5/c1-37-27-9-8-24(16-30(39)35-23-11-14-38(19-23)18-21-5-3-2-4-6-21)43-29(27)20-42-28-10-7-22(15-25(28)32(37)41)36-31(40)26-17-33-12-13-34-26/h2-7,10,12-13,15,17,23-24,27,29H,8-9,11,14,16,18-20H2,1H3,(H,35,39)(H,36,40)/t23-,24-,27-,29+/m0/s1; InChIKey=HJSUWZUIIQDZFE-AECHJOTKSA-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)N[C@H]5CCN(C5)CC6=CC=CC=C6
xref: LINCS:LSM-8829
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5066
chemical entity
5066
atom
5057
nonmetal atom
5019
nitrogen atom
498
nitrogen molecular entity
498
organonitrogen compound
382
carboxamide
208
secondary carboxamide
2
N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
0
Path 2
CHEBI ontology
5066
subatomic particle
5057
composite particle
5057
hadron
5057
baryon
5057
nucleon
5057
atomic nucleus
5057
atom
5057
main group element atom
5026
p-block element atom
5023
carbon group element atom
4940
carbon atom
4939
organic molecular entity
4939
heteroorganic entity
4779
organochalcogen compound
4741
organooxygen compound
4703
carbon oxoacid
370
carboxylic acid
366
carboacyl group
211
univalent carboacyl group
211
carbamoyl group
208
carboxamide
208
secondary carboxamide
2
N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
0