FUX

5-HYDROXYMETHYL-FURFURAL

Created:	2003-09-10
Last modified:	2024-09-27

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2 entries where FUX is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	5

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Chemical Component Summary
Name	5-HYDROXYMETHYL-FURFURAL
Systematic Name (OpenEye OEToolkits)	5-(hydroxymethyl)furan-2-carbaldehyde
Formula	C₆ H₆ O₃
Molecular Weight	126.11
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Cc1oc(cc1)CO
SMILES	CACTVS	3.341	OCc1oc(C=O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(oc1CO)C=O
Canonical SMILES	CACTVS	3.341	OCc1oc(C=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(oc1CO)C=O
InChI	InChI	1.03	InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChIKey	InChI	1.03	NOEGNKMFWQHSLB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB12298
Name	5-Hydroxymethylfurfural
Groups	investigational
Description	Aes-103 has been used in trials studying the treatment and prevention of Hypoxia, Anemia, Sickle Cell, and Sickle Cell Disease.
Synonyms	5-(Hydroxymethyl)-2-furfural 5-(hydroxymethyl)-2-furaldehyde Hydroxymethylfurfural 5-(Hydroxymethyl)furfural 5-Hydroxymethylfurfural 5-Hydroxymethyl-2-furaldehyde
Categories	Aldehydes Furans
CAS number	67-47-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hemoglobin subunit alpha	MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLS...	unknown	modulator

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