MiMeDB: Showing metabocard for (R)-3-Hydroxybutyric acid (MMDBc0031973)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:57:07 UTC

Update Date

2022-08-31 18:26:59 UTC

Metabolite ID

MMDBc0031973

Metabolite Identification

Common Name

(R)-3-Hydroxybutyric acid

Description

NULL

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Synonyms

Value	Source
(R)-(-)-beta-Hydroxybutyric acid	ChEBI
(R)-3-Hydroxybutanoic acid	ChEBI
3-D-Hydroxybutyric acid	ChEBI
D-3-Hydroxybutyric acid	ChEBI
D-beta-Hydroxybutyric acid	Kegg
(R)-(-)-b-Hydroxybutyrate	Generator
(R)-(-)-b-Hydroxybutyric acid	Generator
(R)-(-)-beta-Hydroxybutyrate	Generator
(R)-(-)-Β-hydroxybutyrate	Generator
(R)-(-)-Β-hydroxybutyric acid	Generator
(R)-3-Hydroxybutanoate	Generator
3-D-Hydroxybutyrate	Generator
D-3-Hydroxybutyrate	Generator
D-b-Hydroxybutyrate	Generator
D-b-Hydroxybutyric acid	Generator
D-beta-Hydroxybutyrate	Generator
D-Β-hydroxybutyrate	Generator
D-Β-hydroxybutyric acid	Generator
(R)-3-Hydroxybutyrate	Generator
3-delta-Hydroxybutyrate	HMDB
3-delta-Hydroxybutyric acid	HMDB
BHIB	HMDB
D-(-)-3-Hydroxybutyrate	HMDB
delta-(-)-3-Hydroxybutyrate	HMDB
delta-3-Hydroxybutyrate	HMDB
delta-3-Hydroxybutyric acid	HMDB
delta-beta-Hydroxybutyrate	HMDB
3R-Hydroxy-butanoate	HMDB
(R)-3-Hydroxybutyric acid	KEGG
(-)-3-Hydroxy-n-butyric acid	HMDB
(-)-3-Hydroxybutyric acid	HMDB
(3R)-3-Hydroxybutanoic acid	HMDB
(3R)-3-Hydroxybutyric acid	HMDB
(3R)-Hydroxybutyrate	HMDB
(R)-(-)-3-Hydroxybutyric acid	HMDB
(R)-beta-Hydroxybutanoic acid	HMDB
(R)-beta-Hydroxybutyric acid	HMDB
(R)-β-Hydroxybutanoic acid	HMDB
(R)-β-Hydroxybutyric acid	HMDB
3-Hydroxy-n-butyric acid	HMDB
3-Hydroxybutanoic acid	HMDB
3-Hydroxybutyric acid	HMDB
3R-Hydroxybutanoic acid	HMDB
D-(-)-3-Hydroxybutanoic acid	HMDB
D-(-)-3-Hydroxybutyric acid	HMDB
D-(-)-beta-Hydroxybutyric acid	HMDB
D-(-)-β-Hydroxybutyric acid	HMDB
beta-Hydroxy-n-butyric acid	HMDB
beta-Hydroxybutanoic acid	HMDB
beta-Hydroxybutyric acid	HMDB
β-Hydroxy-n-butyric acid	HMDB
β-Hydroxybutanoic acid	HMDB
β-Hydroxybutyric acid	HMDB

Molecular Formula

C₄H₈O₃

Average Mass

104.1045

Monoisotopic Mass

104.047344122

IUPAC Name

(3R)-3-hydroxybutanoic acid

Traditional Name

(-)-3-hydroxybutyric acid

CAS Registry Number

Not Available

SMILES

C[C@@H](O)CC(O)=O

InChI Identifier

InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

InChI Key

WHBMMWSBFZVSSR-GSVOUGTGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Beta hydroxy acids and derivatives

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Substituents

Short-chain hydroxy acid
Beta-hydroxy acid
Fatty acid
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ketone body (CHEBI:17066 )
3-hydroxybutyric acid (CHEBI:17066 )
Hydroxy fatty acids (LMFA01050243 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	539 g/L	ALOGPS
logP	-0.5	ALOGPS
logP	-0.39	ChemAxon
logS	0.71	ALOGPS
pKa (Strongest Acidic)	4.41	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	23.46 m³·mol⁻¹	ChemAxon
Polarizability	9.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-0900000000-7410b547b9d02c6326c7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-0900000000-7410b547b9d02c6326c7	2018-05-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-9000000000-5f169537ace358b06fd0	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-01ei-9710000000-2652bd46b41e50defdb0	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated)	splash10-0a4i-9200000000-4156904e7472b5e97249	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-0a4i-9300000000-505ae46abb0c49c78b1e	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-0zfr-9600000000-dfed69c37c1a4d794440	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0udi-1900000000-b34932b6f2ee5bca9697	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0a4i-9100000000-cdbb3586477ed705b4d7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-0a4i-9000000000-022ab74e163dd752d054	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-0006-9000000000-18a18150fcc1dfee58cf	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0006-9000000000-e8d8003bcda8aa818d4e	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0udi-1900000000-b34932b6f2ee5bca9697	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0a4i-9100000000-cdbb3586477ed705b4d7	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0a4i-9000000000-022ab74e163dd752d054	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0006-9000000000-187f6a4024ca6e901188	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0006-9000000000-e8d8003bcda8aa818d4e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0a4i-9100000000-79f60e90c0ce32d976b3	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0a4i-9200000000-b3917779cc00018df7d0	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-002e-9000000000-d601a5284802b5564ac8	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-9000000000-128801e4b0f2e4d5344b	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0a4i-9100000000-81d99c8d5304bd26a0cd	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0a4i-9200000000-fc7c6bb126f183e27ff0	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00kr-9100000000-889e2968ad4fd52cdd92	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-05n0-9000000000-6c660170b8f4aa6bcd02	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9000000000-c39869c905b7e93b7f97	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0zfr-9800000000-532ea53160d6ca2efcaa	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0pbi-9200000000-b2c59fd56b1a1d713ea9	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4l-9000000000-29e8d104108ac71cd640	2017-09-01	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0007-9000000000-7fc414806153ebd8822c	2020-03-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria

Biospecimen Locations

Blood
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Feces
Saliva
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192023	Sulfotransferase family cytosolic 2B member 1	Enzyme	O00204	Homo sapiens
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0192187	D-beta-hydroxybutyrate dehydrogenase, mitochondrial	Unknown	Q02338	Homo sapiens
MMDBp0194059	3-hydroxybutyrate dehydrogenase type 2	Unknown	Q9BUT1	Homo sapiens
MMDBp0195854	Novel protein similar to 3-hydroxymethyl-3-methylglutaryl-Coenzyme A lyase (Hydroxymethylglutaricaciduria)	Enzyme	Q9NT06	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0000379	(R)-3-Hydroxybutyric acid	Acetoacetic acid	3-hydroxybutyrate dehydrogenase, type 1	(R)-3-Hydroxybutanoate:NAD+ Oxidoreductase	VMH	1639787 8679568
MMDBr0000383	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Not Available	(R)-3-Hydroxybutanoate Transport via H+ Symport	VMH	1408469 16380372
MMDBr0000384	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Not Available	(R)-3-Hydroxybutanoate Mitochondrial Transport via H+ Symport	VMH	3427918
MMDBr0003517	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003525	Oxoglutaric acid	Oxoglutaric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003532	Acetic acid	Acetic acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003537	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003541	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003543	Acetoacetic acid	Acetoacetic acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003546	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003548	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003549	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0003550	2-Hydroxybutyric acid	2-Hydroxybutyric acid	Solute carrier family 16 (monocarboxylate transporter), member 1	Major Facilitator (Mfs) Tcdb:2.A.1.13.1	VMH	12739169
MMDBr0007730	(R)-3-Hydroxybutyric acid	Acetoacetic acid	Not Available	(R)-3-Hydroxybutanoate:NAD+ oxidoreductase	VMH	30371894
MMDBr0008144	(R)-3-Hydroxybutyric acid	(R)-3-Hydroxybutyric acid	Not Available	Transport of (R)-3-hydroxybutanoate [extraorganism-cytosol](passive)	VMH	30371894
MMDBr0012861	(3R)-hydroxybutanoic acid dimer	(R)-3-Hydroxybutyric acid	D-(-)-3-hydroxybutyrate oligomer hydrolase	Hydrolysis of bond	RHEA	34755880
MMDBr0012991	3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone	(R)-3-Hydroxybutyric acid	Poly(3-hydroxybutyrate) depolymerase	Nucleic acid synthesis and/or repair	RHEA	34755880
MMDBr0013998	(R)-3-Hydroxybutyric acid	Acetoacetic acid	D-beta-hydroxybutyrate dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0017490	(3R)-3-hydroxybutanoyl-CoA	(R)-3-Hydroxybutyric acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017491	(3R)-3-hydroxybutanoyl-CoA	(R)-3-Hydroxybutyric acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0038716	3-Hydroxybutyryl-CoA	(R)-3-Hydroxybutyric acid	Thioesterase TesA	Hydrolysis	RHEA	34755880
MMDBr0038855	(3R)-3-hydroxybutanoyl-CoA	(R)-3-Hydroxybutyric acid	Thioesterase TesA	Hydrolysis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
2-ketoglutarate dehydrogenase complex deficiency		Association	Human Blood	HMDB	8295396
3-hydroxy-3-methylglutaryl-coa lyase deficiency		Association	Human Blood	HMDB	12072887
Alzheimer's disease	Increased	Association	Human Saliva	HMDB	23857558
Anoxia	Increased	Association	Human Cellular Cytoplasm	HMDB	8579834
Carnitine palmitoyltransferase i deficiency	Decreased	Association	Human Blood	HMDB	11286380
Diabetes mellitus type 2	Increased	Association	Human Urine	HMDB	6321058
Diabetes mellitus type 2	Increased	Association	Human Blood	HMDB	18184896
Diabetes mellitus type 2	Slight Decrease	Association	Human Blood	HMDB	14512036
Diabetes mellitus type 2	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	15982426
Frontotemporal dementia	Increased	Association	Human Saliva	HMDB	23857558
Fumarase deficiency	Increased	Association	Human Urine	HMDB	26078636
Long-chain-3-hydroxyacyl coa dehydrogenase deficiency	Decreased	Association	Human Blood	HMDB	11489939
Medium chain acyl-coa dehydrogenase deficiency	Decreased	Association	Human Urine	HMDB	2380628
Medium chain acyl-coa dehydrogenase deficiency		Association	Human Urine	HMDB	6616873
Medium chain acyl-coa dehydrogenase deficiency		Association	Human Urine	HMDB	6434845
Medium chain acyl-coa dehydrogenase deficiency	Increased	Association	Human Blood	HMDB	11489939
Meningitis	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	15627241
Obesity		Association	Human Blood	HMDB	16253646
Pyruvate carboxylase deficiency		Association	Human Urine	HMDB	28649521
Schizophrenia	Decreased	Association	Human Blood	HMDB	25004141
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Eosinophilic esophagitis	Decreased	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	159	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human stool; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Actinobacteria	29	Human feces; Human	Metabolic reconstruction
Bacteria	Firmicutes	173	Human feces; Human ; Human urine; Human mucosa; Cattle ; Human subgingival plaque	Metabolic reconstruction
Bacteria	Bacteroidetes	9	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	21	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	100				uM	Newborn (0-30 days old)	Male	2-Ketoglutarate dehydrogenase complex deficiency	HMDB	8295396
Human Blood	Detected and Quantified			120	2000	uM	Children (1-13 years old)	Male	2-Ketoglutarate dehydrogenase complex deficiency	HMDB	8295396
Human Blood	Detected and Quantified	64				uM	Infant (0-1 year old)	Female	3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency	HMDB	12072887
Human Blood	Detected and Quantified			20	50	uM	Children (1-13 years old)	Male	3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency	HMDB	9727719
Human Blood	Detected and Quantified	500				uM	Adult (>18 years old)	Male	3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)	HMDB	11241047
Human Blood	Detected and Quantified	660				uM	Adolescent (13-18 years old)	Female	3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)	HMDB	11241047
Human Blood	Detected and Quantified			0	200	uM	Infant (0-1 year old)	Male	3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)	HMDB	23430856
Human Blood	Detected and Quantified			10	1380	uM	Infant (0-1 year old)	Female	3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)	HMDB	11489939
Human Blood	Detected and Quantified			200	2800	uM	Infant (0-1 year old)	Female	3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)	HMDB	11241047
Human Blood	Detected and Quantified			770	2900	uM	Children (1-13 years old)	Both	3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)	HMDB	11241047
Human Urine	Detected and Quantified			51.0431	56.473	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	3-Hydroxydicarboxylic aciduria	HMDB	1870421
Human Urine	Detected and Quantified			170	390	umol/mmol creatinine	Children (1-13 years old)	Male	3-Hydroxyisobutyric acid dehydrogenase deficiency	HMDB	1956714
Human Blood	Detected and Quantified	130	80			uM	Children (1-13 years old)	Both	Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency	HMDB	26079780
Human Blood	Detected and Quantified	250	160			uM	Children (1-13 years old)	Both	Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency	HMDB	26079780
Human Blood	Detected and Quantified	300	200			uM	Children (1-13 years old)	Both	Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency	HMDB	26079780
Human Blood	Detected and Quantified	300	390			uM	Children (1-13 years old)	Both	Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency	HMDB	26079780
Human Saliva	Detected and Quantified	6.62	0.72			uM	Adult (>18 years old)	Male	Alzheimer's disease	HMDB	23857558
Human Cellular cytoplasm	Detected and Quantified	2600		2500	2700	uM	Adult (>18 years old)	Both	Anoxia	HMDB	8579834
Human Blood	Detected and Quantified	<100				uM	Children (1-13 years old)	Male	Carnitine palmitoyltransferase deficiency I	HMDB	11286380
Human Urine	Detected and Quantified	224				umol/mmol creatinine	Adult (>18 years old)	Both	Diabetes	HMDB	6321058
Human Blood	Detected and Quantified	1400.0	100.0			uM	Adult (>18 years old)	Both	Diabetes	HMDB	18184896
Human Blood	Detected and Quantified	1500.0	100.0			uM	Children (1-13 years old)	Both	Diabetes	HMDB	18184896
Human Blood	Detected and Quantified	35.5	92.2			uM	Adult (>18 years old)	Both	Diabetes	HMDB	14512036
Human Cerebrospinal fluid (csf)	Detected and Quantified	6360		5350	7370	uM	Adult (>18 years old)	Both	Diabetes	HMDB	15982426
Human Blood	Detected and Quantified	7700.0	200.0			uM	Adult (>18 years old)	Both	Diabetes	HMDB	18184896
Human Blood	Detected and Quantified	7700.0	300.0			uM	Children (1-13 years old)	Both	Diabetes	HMDB	18184896
Human Blood	Detected and Quantified	31.6	19.1			uM	Adult (>18 years old)	Female	Early preeclampsia	HMDB	22494326
Human Saliva	Detected and Quantified	6.37	1.75			uM	Adult (>18 years old)	Male	Frontotemporal lobe dementia	HMDB	23857558
Human Urine	Detected and Quantified	351.872				umol/mmol creatinine	Infant (0-1 year old)	Male	Fumarase deficiency	HMDB	26078636
Human Blood	Detected and Quantified			1490	5040	uM	Infant (0-1 year old)	Not Specified	Ketotic hypoglycemia	HMDB	11489939
Human Blood	Detected and Quantified	49.9	46.7			uM	Adult (>18 years old)	Female	Late-onset preeclampsia	HMDB	23159745
Human Saliva	Detected and Quantified	24.25	32.08			uM	Adult (>18 years old)	Both	Lewy body disease	HMDB	23857558
Human Blood	Detected and Quantified			80	200	uM	Infant (0-1 year old)	Not Specified	Long-chain 3-hydroxyacyl-CoA dehydrogenase deficiency	HMDB	11489939
Human Urine	Detected and Quantified	11.946				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	2380628
Human Urine	Detected and Quantified	16.29				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	2380628
Human Urine	Detected and Quantified	27.151				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	2380628
Human Urine	Detected and Quantified	31.495				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	2380628
Human Urine	Detected and Quantified	56.473				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	2380628
Human Urine	Detected and Quantified			3	1050	umol/mmol creatinine	Children (1 - 13 years old)	Both	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	6616873
Human Urine	Detected and Quantified			55.399	1634.282	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Medium Chain Acyl-CoA Dehydrogenase Deficiency	HMDB	6434845
Human Blood	Detected and Quantified			700	1340	uM	Infant (0-1 year old)	Not Specified	Medium chain acyl-CoA dehydrogenase deficiency (MCAD)	HMDB	11489939
Human Cerebrospinal fluid (csf)	Detected and Quantified	430		359	501	uM	Adult (>18 years old)	Both	Meningitis	HMDB	15627241
Human Blood	Detected and Quantified	235.0	17.0			uM	Adult (>18 years old)	Female	Obesity	HMDB	16253646
Human Blood	Detected and Quantified	21.0	19.4			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23313728
Human Blood	Detected and Quantified	27.0	16.2			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	22494326
Human Blood	Detected and Quantified	29.7	19.1			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23159745
Human Blood	Detected and Quantified	30.15	37.69			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	24704061
Human Blood	Detected and Quantified	32.9	53.42			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23535240
Human Urine	Detected and Quantified	8359				umol/mmol creatinine	Infant (0-1 year old)		Pyruvate carboxylase deficiency	HMDB	28649521
Human Urine	Detected and Quantified	45000				umol/mmol creatinine	Children (1-13 years old)		Pyruvate carboxylase deficiency	HMDB	28649521
Human Blood	Detected and Quantified	1800				uM	Infant (0-1 year old)	Male	Pyruvate dehydrogenase phosphatase deficiency	HMDB	172850
Human Blood	Detected and Quantified	17.6	3.84			uM	Adult (>18 years old)	Both	Schizophrenia	HMDB	25004141
Human Blood	Detected and Quantified			0	380	uM	Infant (0-1 year old)	Not Specified	Short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency	HMDB	11489939
Human Urine	Detected and Quantified	3.4				umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	6321058
Human Blood	Detected and Quantified	<150				uM	Not Specified	Not Specified	Normal	HMDB	12072887
Human Blood	Detected and Quantified	<500				uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	172850
Human Urine	Detected and Quantified	<54.301				umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	26078636
Human Blood	Detected and Quantified	<600				uM	Not Specified	Not Specified	Normal	HMDB	23430856
Human Urine	Detected and Quantified	<99				umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	28649521
Human Urine	Detected and Quantified			0.5	9.8	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	31506554
Human Urine	Detected and Quantified	0.62		0.0	12.09	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	20822677
Human Urine	Detected and Quantified	0.7		0	2.0	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	2702744
Human Urine	Detected and Quantified			0.72	23.3	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Urine	Detected and Quantified	1.3		0.1	5.8	umol/mmol creatinine	Adolescent (13-18 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	1.4		0.1	2.7	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	1.4	1.3			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Urine	Detected and Quantified			1.4	2.2	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Urine	Detected and Quantified			1.4	2.7	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Blood	Detected and Quantified			10.60	143.2	uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Blood	Detected and Quantified	100.0	90.0			uM	Adult (>18 years old)	Female	Normal	HMDB	9802754
Human Cellular cytoplasm	Detected and Quantified	1300		1200	1400	uM	Adult (>18 years old)	Both	Normal	HMDB	8579834
Human Saliva	Detected and Quantified	16.44	19.52			uM	Adult (>18 years old)	Female	Normal	HMDB	23857558
Human Blood	Detected and Quantified	170	110			uM	Children (1-13 years old)	Both	Normal	HMDB	26079780
Human Blood	Detected and Quantified	180.0		22.0	700.0	uM	Adult (>18 years old)	Both	Normal	HMDB	8412012
Human Urine	Detected and Quantified	180.280	115.119			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	2380628
Human Urine	Detected and Quantified	180.4	115.00			umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	2380628
Human Urine	Detected and Quantified	2.0		0.5	9.8	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	2.0		0.6	5.6	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	2.24		0.0	17.6	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	20822677
Human Urine	Detected and Quantified	2.257	1.254			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	16460720
Human Urine	Detected and Quantified	2.60	3.50			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Blood	Detected and Quantified	200	120			uM	Children (1-13 years old)	Both	Normal	HMDB	26079780
Human Feces	Detected and Quantified	22.0932	9.606			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	20669995
Human Blood	Detected and Quantified			260	5040	uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	11489939
Human Urine	Detected and Quantified	27.151	14.118			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	1870421
Human Urine	Detected and Quantified	27.151	14.118			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	2380628
Human Urine	Detected and Quantified	272.592	419.205			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	1870421
Human Urine	Detected and Quantified	272.592	419.205			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	2380628
Human Cerebrospinal fluid (csf)	Detected and Quantified	286		207	365	uM	Adult (>18 years old)	Both	Normal	HMDB	15627241
Human Urine	Detected and Quantified	3.14		0.71	23.84	umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	3.6		1.3	6.4	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	3.6		1.3	6.4	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	32.3	8.7			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	17474139
Human Blood	Detected and Quantified	323.0	29.0			uM	Adult (>18 years old)	Female	Normal	HMDB	16253646
Human Urine	Detected and Quantified	3397.0835	5584.336			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	1870421
Human Urine	Detected and Quantified	3397.0835	5584.336			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	2380628
Human Cerebrospinal fluid (csf)	Detected and Quantified	34	31			uM	Adult (>18 years old)	Both	Normal	HMDB	18502700
Human Blood	Detected and Quantified	36	20			uM	Adult (>18 years old)	Both	Normal	HMDB	415828
Human Blood	Detected and Quantified	38	31			uM	Adult (>18 years old)	Both	Normal	HMDB	5032673
Human Urine	Detected and Quantified	38.9	13.9			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	17474139
Human Urine	Detected and Quantified	4.02		0.78	12.39	umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Blood	Detected and Quantified	40.0	10.0			uM	Adult (>18 years old)	Both	Normal	HMDB	16540841
Human Blood	Detected and Quantified	46.5	10.1			uM	Adult (>18 years old)	Both	Normal	HMDB	25004141
Human Urine	Detected and Quantified	48.0		0.00	200.0	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	6321058
Human Cerebrospinal fluid (csf)	Detected and Quantified	48.0	48.0			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	8412012
Human Blood	Detected and Quantified	50.0		0.0	100.0	uM	Adult (>18 years old)	Both	Normal	HMDB	16384844
Human Cerebrospinal fluid (csf)	Detected and Quantified	50.0		4.0	96.0	uM	Adult (>18 years old)	Both	Normal	HMDB	9693263
Human Blood	Detected and Quantified			500	3000	uM	Children (1-13 years old)	Male	Normal	HMDB	9337379
Human Blood	Detected and Quantified	60.0	20.0			uM	Adult (>18 years old)	Both	Normal	HMDB	16540841
Human Urine	Detected and Quantified	616.862	982.852			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	2380628
Human Urine	Detected and Quantified	636.410	982.852			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	1870421
Human Blood	Detected and Quantified	64.88	60.4			uM	Adult (>18 years old)	Both	Normal	HMDB	26010610
Human Urine	Detected and Quantified			7	120	umol/mmol creatinine	Children (1 - 13 years old)	Both	Normal	HMDB	6616873
Human Urine	Detected and Quantified	7569.588	3599.0840			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	1870421
Human Urine	Detected and Quantified	7569.588	3599.0840			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	2380628
Human Blood	Detected and Quantified	76.9	66.3			uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Blood	Detected and Quantified			80	3600	uM	Not Specified	Not Specified	Normal	HMDB	8295396
Human Blood	Detected and Quantified	86	53			uM	Adult (>18 years old)	Both	Normal	HMDB	1220702
Human Urine	Detected and Quantified	30.883	22.266			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	35.352	40.756			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	29.712	14.532			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	6.651	7.809			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	<21.17				umol/mmol creatinine	Children (1 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified	13.0		1.0	27.0	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	36.0		13.0	95.0	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cerebrospinal fluid (csf)	Detected and Quantified	46.4	23.9			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	565.0	255.0			uM	Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Saliva	Detected and Quantified	2.64	1.83			uM	Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	3.22	2.77			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	3.88	4.26			uM	Adult (>18 years old)	Both	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	4.71	7.21			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	5.00	4.25			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	12097436
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24029555
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21505807
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22024767
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22024767
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22800120
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	26476344
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	28842642
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0000011

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021869

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Beta-Hydroxybutyric_acid

METLIN ID

Not Available

PubChem Compound

92135

PDB ID

Not Available

ChEBI ID

17066

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. doi: 10.1016/0378-4347(91)80571-s. [PubMed:2026685 ]
Raunio RP, Leivo PV, Kuusinen AM: Bioluminescent assay of D-3-hydroxybutyrate in serum. J Biolumin Chemilumin. 1986 Jun;1(1):11-4. doi: 10.1002/bio.1170010104. [PubMed:3503522 ]
Yeh YY, Sheehan PM: Preferential utilization of ketone bodies in the brain and lung of newborn rats. Fed Proc. 1985 Apr;44(7):2352-8. [PubMed:3884391 ]
Geary N, Grotschel H, Scharrer E: Blood metabolites and feeding during postinsulin hypophagia. Am J Physiol. 1982 Sep;243(3):R304-11. doi: 10.1152/ajpregu.1982.243.3.R304. [PubMed:7051864 ]
Kita K, Ishimaru K, Teraoka M, Yanase H, Kato N: Properties of poly(3-hydroxybutyrate) depolymerase from a marine bacterium, Alcaligenes faecalis AE122. Appl Environ Microbiol. 1995 May;61(5):1727-30. doi: 10.1128/aem.61.5.1727-1730.1995. [PubMed:7646009 ]
Hoffmann GF, Meier-Augenstein W, Stockler S, Surtees R, Rating D, Nyhan WL: Physiology and pathophysiology of organic acids in cerebrospinal fluid. J Inherit Metab Dis. 1993;16(4):648-69. doi: 10.1007/BF00711898. [PubMed:8412012 ]
Zupke C, Sinskey AJ, Stephanopoulos G: Intracellular flux analysis applied to the effect of dissolved oxygen on hybridomas. Appl Microbiol Biotechnol. 1995 Dec;44(1-2):27-36. doi: 10.1007/BF00164476. [PubMed:8579834 ]
Abrahamsson K, Eriksson BO, Holme E, Jodal U, Jonsson A, Lindstedt S: Pivalic acid-induced carnitine deficiency and physical exercise in humans. Metabolism. 1996 Dec;45(12):1501-7. doi: 10.1016/s0026-0495(96)90179-1. [PubMed:8969283 ]
Kamijo T, Indo Y, Souri M, Aoyama T, Hara T, Yamamoto S, Ushikubo S, Rinaldo P, Matsuda I, Komiyama A, Hashimoto T: Medium chain 3-ketoacyl-coenzyme A thiolase deficiency: a new disorder of mitochondrial fatty acid beta-oxidation. Pediatr Res. 1997 Nov;42(5):569-76. doi: 10.1203/00006450-199711000-00002. [PubMed:9357925 ]
Redjems-Bennani N, Jeandel C, Lefebvre E, Blain H, Vidailhet M, Gueant JL: Abnormal substrate levels that depend upon mitochondrial function in cerebrospinal fluid from Alzheimer patients. Gerontology. 1998;44(5):300-4. doi: 10.1159/000022031. [PubMed:9693263 ]
Pan JW, Rothman TL, Behar KL, Stein DT, Hetherington HP: Human brain beta-hydroxybutyrate and lactate increase in fasting-induced ketosis. J Cereb Blood Flow Metab. 2000 Oct;20(10):1502-7. doi: 10.1097/00004647-200010000-00012. [PubMed:11043913 ]
Krotkiewski M: Value of VLCD supplementation with medium chain triglycerides. Int J Obes Relat Metab Disord. 2001 Sep;25(9):1393-400. doi: 10.1038/sj.ijo.0801682. [PubMed:11571605 ]
Pan JW, Telang FW, Lee JH, de Graaf RA, Rothman DL, Stein DT, Hetherington HP: Measurement of beta-hydroxybutyrate in acute hyperketonemia in human brain. J Neurochem. 2001 Nov;79(3):539-44. doi: 10.1046/j.1471-4159.2001.00575.x. [PubMed:11701757 ]
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Showing metabocard for (R)-3-Hydroxybutyric acid (MMDBc0031973)

MOL for #<Metabolite:0x00007f5abc569ac8>

3D MOL for #<Metabolite:0x00007f5abc569ac8>

3D SDF for #<Metabolite:0x00007f5abc569ac8>

3D-SDF for #<Metabolite:0x00007f5abc569ac8>

PDB for #<Metabolite:0x00007f5abc569ac8>

3D PDB for #<Metabolite:0x00007f5abc569ac8>

SMILES for #<Metabolite:0x00007f5abc569ac8>

INCHI for #<Metabolite:0x00007f5abc569ac8>

Structure for #<Metabolite:0x00007f5abc569ac8>

3D Structure for #<Metabolite:0x00007f5abc569ac8>