E4H
(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
Find entries where: E4H
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE |
Identifiers | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione |
Formula | C17 H28 O4 |
Molecular Weight | 296.402 |
Type | NON-POLYMER |
Isomeric SMILES | CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C |
InChI | InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1 |
InChIKey | NZUJVBSYQXETNF-PQWITYJESA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 6 |
Bond Count | 49 |
Aromatic Bond Count | 0 |
Drug Info: DrugBank
DrugBank ID | DB07703 |
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Name | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE |
Groups | experimental |
Synonyms | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Type I polyketide synthase PikAIV | MTSSNEQLVDALRASLKENEELRKESRRRADRRQEPMAIVGMSCRFAGGI... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 5282031 |
ChEBI | CHEBI:29461 |