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-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
Accession: CHEBI:98108
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Definition: A biphenyl that has formula C30H33N3O6S.
Synonyms: related_synonym: Formula=C30H33N3O6S; InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28-/m1/s1; InChIKey=IPBHQWGLWRAHKP-OROMBRFGSA-N; SMILES=CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5
xref: LINCS:LSM-9487
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
molecular entity
25998
polyatomic entity
25883
molecule
25273
cyclic compound
24282
ring assembly
9492
biphenyls
6356
2-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
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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
carbocyclic compound
22049
benzenoid aromatic compound
20122
biphenyls
6356
2-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
0