SBH

(S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE

Created:	2004-08-19
Last modified:	2011-06-04

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2 entries where SBH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	2
Bond Count	28
Aromatic Bond Count	0

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Chemical Component Summary
Name	(S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(3S)-4-bromo-3-hydroxy-3-methyl-butyl] phosphono hydrogen phosphate
Formula	C₅ H₁₃ Br O₈ P₂
Molecular Weight	343.003
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O
SMILES	CACTVS	3.341	C[C](O)(CBr)CCO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O
Canonical SMILES	CACTVS	3.341	C[C@@](O)(CBr)CCO[P@](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O
InChI	InChI	1.03	InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m0/s1
InChIKey	InChI	1.03	YKAYCWPQDPILSA-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02480
Name	(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate
Groups	experimental
Synonyms	(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Isopentenyl-diphosphate Delta-isomerase	MQTEHVILLNAQGVPTGTLEKYAAHTADTRLHLAFSSWLFNAKGQLLVTR...	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