GST

GERANYL S-THIOLODIPHOSPHATE

Created:	2005-05-11
Last modified:	2021-03-13

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23 entries where GST is found as a standalone ligand2 entries where GST is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	GERANYL S-THIOLODIPHOSPHATE
Synonyms	S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	3,7-dimethylocta-2,6-dienylsulfanyl-phosphonooxy-phosphinic acid
Formula	C₁₀ H₂₀ O₆ P₂ S
Molecular Weight	330.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C)C
SMILES	CACTVS	3.341	CC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C
Canonical SMILES	CACTVS	3.341	CC(C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C
InChI	InChI	1.03	InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
InChIKey	InChI	1.03	AKIXWSDUEPPMKM-JXMROGBWSA-N

Drug Info: DrugBank

DrugBank ID	DB04702
Name	S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE
Groups	experimental
Synonyms	S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prenyltransferase	MSEAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVF...	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