BHG

hexyl beta-D-galactopyranoside

Created:	2000-10-11
Last modified:	2020-07-17

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4 entries where BHG is found as a standalone ligand10 entries where BHG is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	5
Bond Count	42
Aromatic Bond Count	0

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Chemical Component Summary
Name	hexyl beta-D-galactopyranoside
Synonyms	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL; hexyl beta-D-galactoside; hexyl D-galactoside; hexyl galactoside
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₁₂ H₂₄ O₆
Molecular Weight	264.315
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCCCCC)C1OC(C(O)C(O)C1O)CO
SMILES	CACTVS	3.341	CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCOC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1
InChIKey	InChI	1.03	JVAZJLFFSJARQM-YBXAARCKSA-N

Drug Info: DrugBank

DrugBank ID	DB04141
Name	2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol
Groups	experimental
Synonyms	2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol

Drug Targets

Name	Target Sequence	Pharmacological Action
Cytochrome c1, heme protein, mitochondrial	MAAAAASLRGVVLGPRGAGLPGARARGLLCSARPGQLPLRTPQAVALSSK...	unknown
Cytochrome b	MTPMRKTNPLMKLINHSFIDLPTPSNISAWWNFGSLLGACLILQITTGLF...	unknown
Cytochrome b-c1 complex subunit 1, mitochondrial	MAASVVCRAATAGAQVLLRARRSPALLRTPALRSTATFAQALQFVPETQV...	unknown
Cytochrome b-c1 complex subunit 2, mitochondrial	MKLLTRAGSFSRFYSLKVAPKVKATAAPAGAPPQPQDLEFTKLPNGLVIA...	unknown
Cytochrome b-c1 complex subunit 6, mitochondrial	MGLEDEQKMLTESGDPEEEEEEEEELVDPLTTVREQCEQLEKCVKARERL...	unknown
Cytochrome b-c1 complex subunit 8	MGREFGNLTRMRHVISYSLSPFEQRAYPHVFTKGIPNVLRRIRESFFRVV...	unknown
Cytochrome b-c1 complex subunit Rieske, mitochondrial	MLSVASRSGPFAPVLSATSRGVAGALRPLVQATVPATPEQPVLDLKRPFL...	unknown
Cytochrome b-c1 complex subunit 7	MAGKQAVSASGKWLDGIRKWYYNAAGFNKLGLMRDDTIYEDEDVKEAIRR...	unknown
Cytochrome b-c1 complex subunit 9	MAAATLTSKLYSLLFRRTSTFALTIIVGVMFFERAFDQGADAIYDHINEG...	unknown
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	MSGVRGLSRLLSARRLALAKAWPTVLQTGTRGFHFTVDGNKRASAKVSDS...	unknown
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	MAAVVALSLRRRLPATTLGGACLQASRGAQTAAATAPRIKKFAIYRWDPD...	unknown
Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial	MAVLWRLSAVCGALGGRALLLRTPVVRPAHISAFLQDRPIPEWCGVQHIH...	unknown
Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial	MLVPLAKLSCLAYQCFHALKIKKNYLPLCATRWSSTSTVPRITTHYTIYP...	unknown
Succinate dehydrogenase cytochrome b560 subunit, mitochondrial	MAALLLRHVGRHCLRAHFSPQLCIRNAVPLGTTAKEEMERFWNKNIGSNR...	unknown
Histo-blood group ABO system transferase	MAEVLRTLAGKPKCHALRPMILFLIMLVLVLFGYGVLSPRSLMPGSLERG...	unknown
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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