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: (4S,4aR,5S,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
Accession: CHEBI:91717
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Definition: A tetracycline that has formula C22H21ClN2O8.
Synonyms: related_synonym: Formula=C22H21ClN2O8; InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,12-15,17,26,28,33H,1H2,2-3H3,(H2,24,32)/t10?,12?,13?,14-,15+,17+,22+/m1/s1; InChIKey=YKYBWGJKLYMCFI-SKNFAPOLSA-N; SMILES=CN(C)[C@H]1[C@@H]2[C@H](C3C(C(=O)C4=C(C=CC(=C4C3=C)Cl)O)C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O
xref: LINCS:LSM-1571
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
role
19818
biological role
19785
biochemical role
19496
metabolite
19484
tetracyclines
504
(4S,4aR,5S,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
0
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
main group molecular entity
19759
s-block molecular entity
19628
hydrogen molecular entity
19614
hydrides
19087
organic hydride
18656
organic fundamental parent
18656
hydrocarbon
18396
cyclic hydrocarbon
17214
arene
17209
polycyclic arene
17023
ortho-fused polycyclic arene
9816
acene
7784
tetracene
7787
tetracyclines
504
(4S,4aR,5S,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
0