acompound

Showing entry for Pentanoic acid

General Compound Information
BXGC Id	BXGC0002394
Compound Name	Pentanoic acid
Structure
Formula	C5H10O2
InchiKey	NQPDZGIKBAWPEJ-UHFFFAOYSA-N
SMILES	CCCCC(O)=O
Inchi	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
IUPAC	pentanoic acid
Molecular Weight	102.13
Pubchem Id	7991
Chembl Id	CHEMBL268736

Targets of Information Source

DrugBank

DB02406

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
P96965	BXGT012195	2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	unreviewed	-	cumD	experimental	-

PDB

LEA

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
P96965	BXGT012195	2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	unreviewed	cumD	-	-	-	-	-
A8BD71	BXGT001668	Uncharacterized protein	unreviewed	GL50803_14299	-	-	-	-	-
A0A0X1KHD1	BXGT000629	Esterase Est2	unreviewed		-	-	-	-	-
Q39ZI0	BXGT014394	Uncharacterized protein	unreviewed	Gmet_0095	-	-	-	-	-
Q99JT9	BXGT019987	1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase	reviewed	Adi1	-	-	-	-	-
A0A0U1MWF9	BXGT024692	Triacylglycerol lipase	unreviewed	lip	-	-	-	-	-

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL268736

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q969S8	BXGT019613	Polyamine deacetylase HDAC10	reviewed	Epigenetic regulator	HDAC10	Activity	'='	83	%
Q9UKV0	BXGT021750	Histone deacetylase 9	reviewed	Epigenetic regulator	HDAC9	Activity	'='	83	%
P56524	BXGT011176	Histone deacetylase 4	reviewed	Epigenetic regulator	HDAC4	Activity	'='	83	%
Q96DB2	BXGT019639	Histone deacetylase 11	reviewed	Epigenetic regulator	HDAC11	Activity	'='	83	%
Q9BY41	BXGT020180	Histone deacetylase 8	reviewed	Epigenetic regulator	HDAC8	Activity	'='	83	%
Q8WUI4	BXGT018992	Histone deacetylase 7	reviewed	Epigenetic regulator	HDAC7	Activity	'='	83	%
Q9UQL6	BXGT021813	Histone deacetylase 5	reviewed	Epigenetic regulator	HDAC5	Activity	'='	83	%
Q92769	BXGT019370	Histone deacetylase 2	reviewed	Epigenetic regulator	HDAC2	Activity	'='	83	%
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	Activity	'='	83	%
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	Activity	'='	83	%
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	Activity	'='	83	%
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	891	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00012	Pineapple	Ananas comosus	Fruits
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00085	Soy bean	Glycine max	Soy
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00130	Avocado	Persea americana	Vegetables
BXGF00149	Peach	Prunus persica	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00808	Pomes		Fruits
BXGF00815	Milk and milk products		Milk and milk products
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00820	Mollusks		Aquatic foods
BXGF00821	Nuts		Nuts
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02444	Valeriana officinalis	Valeriana officinalis	Medicinal Plant
BXGF02527	Nicotiana tabacum	Nicotiana tabacum	Medicinal Plant
BXGF02543	Rhododendron mucronulatum	Rhododendron mucronulatum	Medicinal Plant
BXGF02847	Podocarpus elongata	Podocarpus elongata	Others
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04680	Eschweilera coriacea	Eschweilera coriacea	Human Edible Plant
BXGF04900	Ostericum grosseserratum	Ostericum grosseserratum	Human Edible Plant
BXGF05159	Eucalyptus cladocalyx	Eucalyptus cladocalyx	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05510	Ulva pertusa	Ulva pertusa	Medicinal Plant
BXGF05688	Salvadora persica	Salvadora persica	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	Medicinal Plant
BXGF06321	Peltodon longipes	Peltodon longipes	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}