TLM

THIOLACTOMYCIN

Created:	2000-08-14
Last modified:	2020-06-05

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5 entries where TLM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	0

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Chemical Component Summary
Name	THIOLACTOMYCIN
Synonyms	4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE
Systematic Name (OpenEye OEToolkits)	(5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2-one
Formula	C₁₁ H₁₄ O₂ S
Molecular Weight	210.293
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1SC(/C=C(/C=C)C)(C(O)=C1C)C
SMILES	CACTVS	3.341	CC(C=C)=C[C]1(C)SC(=O)C(=C1O)C
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(SC1=O)(C)C=C(C)C=C)O
Canonical SMILES	CACTVS	3.341	CC(\C=C)=C/[C@@]1(C)SC(=O)C(=C1O)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O
InChI	InChI	1.03	InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1
InChIKey	InChI	1.03	SYQNUQSGEWNWKV-XUIVZRPNSA-N

Drug Info: DrugBank

DrugBank ID	DB04302
Name	4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One
Groups	experimental
Synonyms	4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One
CAS number	82079-32-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-oxoacyl-[acyl-carrier-protein] synthase 1	MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEF...	unknown
3-oxoacyl-[acyl-carrier-protein] synthase 1	MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWG...	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