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,4aR,12aR)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
Accession: CHEBI:98123
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Definition: A thiazole that has formula C25H31N5O5S.
Synonyms: related_synonym: Formula=C25H31N5O5S; InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22-/m0/s1; InChIKey=MBWHXZFHLNKYMT-WEYGHZABSA-N; SMILES=CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C
xref: LINCS:LSM-9502
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22178
chemical entity
22208
atom
22170
nonmetal atom
22055
nitrogen atom
20030
nitrogen molecular entity
20004
amide
18278
aromatic amide
8463
N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
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Path 2
CHEBI ontology
22178
subatomic particle
22170
composite particle
22170
hadron
22201
baryon
22170
nucleon
22170
atomic nucleus
22170
atom
22170
main group element atom
22104
p-block element atom
22104
carbon group element atom
21904
carbon atom
21859
organic molecular entity
21830
organic molecule
21647
organic cyclic compound
21252
organic heterocyclic compound
20352
heteroarene
17875
monocyclic heteroarene
15300
azole
14838
thiazoles
1812
N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
0