BU9

Meso-2,3-Butanediol

Created:	2012-11-20
Last modified:	2014-09-05

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4 entries where BU9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	2
Bond Count	15
Aromatic Bond Count	0

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Chemical Component Summary
Name	Meso-2,3-Butanediol
Systematic Name (OpenEye OEToolkits)	(2S,3R)-butane-2,3-diol
Formula	C₄ H₁₀ O₂
Molecular Weight	90.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C)C(O)C
SMILES	CACTVS	3.385	C[CH](O)[CH](C)O
SMILES	OpenEye OEToolkits	1.9.2	CC(C(C)O)O
Canonical SMILES	CACTVS	3.385	C[C@H](O)[C@@H](C)O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@H]([C@H](C)O)O
InChI	InChI	1.03	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
InChIKey	InChI	1.03	OWBTYPJTUOEWEK-ZXZARUISSA-N

Drug Info: DrugBank

DrugBank ID	DB02418
Name	(R,R)-2,3-Butanediol
Groups	experimental
Synonyms	(R,R)-2,3-Butanediol
CAS number	24347-58-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ubiquitin-conjugating enzyme E2 D2	MALKRIHKELNDLARDPPAQCSAGPVGDDMFHWQATIMGPNDSPYQGGVF...	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