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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (7) Show 7 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2023-02-21 17:15:25 UTC

HMDB ID

HMDB0001080

Secondary Accession Numbers

HMDB0060247
HMDB01080
HMDB60247

Metabolite Identification

Common Name

4-Aminobutyraldehyde

Description

4-Aminobutyraldehyde, also known as 4-amino-butanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 4-Aminobutyraldehyde is a very strong basic compound (based on its pKa). 4-Aminobutyraldehyde exists in all living species, ranging from bacteria to humans. Outside of the human body, 4-Aminobutyraldehyde has been detected, but not quantified in, several different foods, such as chinese bayberries, sour cherries, romaine lettuces, black salsifies, and green zucchinis. This could make 4-aminobutyraldehyde a potential biomarker for the consumption of these foods. An omega-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-Amino-butyraldehyde	ChEBI
4-Amino-butanal	HMDB
4-Aminobutanal	HMDB
4-Ammoniobutanal	HMDB
gamma-Aminobutyraldehyde	HMDB
4-Aminobutyraldehyde	ChEBI

Chemical Formula

C₄H₉NO

Average Molecular Weight

87.1204

Monoisotopic Molecular Weight

87.068413915

IUPAC Name

4-aminobutanal

Traditional Name

ω-aminoaldehyde

CAS Registry Number

4390-05-0

SMILES

NCCCC=O

InChI Identifier

InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2

InChI Key

DZQLQEYLEYWJIB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Alpha-hydrogen aldehydes

Alternative Parents

Substituents

Alpha-hydrogen aldehyde
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

aminobutanal (CHEBI:17769 )

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	259 g/L	ALOGPS
logP	-0.73	ALOGPS
logP	-0.78	ChemAxon
logS	0.47	ALOGPS
pKa (Strongest Acidic)	14.83	ChemAxon
pKa (Strongest Basic)	9.79	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.09 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	24.53 m³·mol⁻¹	ChemAxon
Polarizability	9.72 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	116.708	31661259
DarkChem	[M-H]-	110.482	31661259
AllCCS	[M+H]+	123.214	32859911
AllCCS	[M-H]-	127.369	32859911
DeepCCS	[M+H]+	124.769	30932474
DeepCCS	[M-H]-	122.874	30932474
DeepCCS	[M-2H]-	158.212	30932474
DeepCCS	[M+Na]+	132.366	30932474
AllCCS	[M+H]+	123.2	32859911
AllCCS	[M+H-H2O]+	118.8	32859911
AllCCS	[M+NH4]+	127.3	32859911
AllCCS	[M+Na]+	128.5	32859911
AllCCS	[M-H]-	127.4	32859911
AllCCS	[M+Na-2H]-	132.0	32859911
AllCCS	[M+HCOO]-	137.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-Aminobutyraldehyde	NCCCC=O	1460.6	Standard polar	33892256
4-Aminobutyraldehyde	NCCCC=O	791.5	Standard non polar	33892256
4-Aminobutyraldehyde	NCCCC=O	844.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-Aminobutyraldehyde,1TMS,isomer #1	C[Si](C)(C)OC=CCCN	1052.5	Semi standard non polar	33892256
4-Aminobutyraldehyde,1TMS,isomer #1	C[Si](C)(C)OC=CCCN	1048.7	Standard non polar	33892256
4-Aminobutyraldehyde,1TMS,isomer #1	C[Si](C)(C)OC=CCCN	1633.9	Standard polar	33892256
4-Aminobutyraldehyde,1TMS,isomer #2	C[Si](C)(C)NCCCC=O	1099.8	Semi standard non polar	33892256
4-Aminobutyraldehyde,1TMS,isomer #2	C[Si](C)(C)NCCCC=O	1091.1	Standard non polar	33892256
4-Aminobutyraldehyde,1TMS,isomer #2	C[Si](C)(C)NCCCC=O	1386.1	Standard polar	33892256
4-Aminobutyraldehyde,2TMS,isomer #1	C[Si](C)(C)NCCC=CO[Si](C)(C)C	1252.5	Semi standard non polar	33892256
4-Aminobutyraldehyde,2TMS,isomer #1	C[Si](C)(C)NCCC=CO[Si](C)(C)C	1268.3	Standard non polar	33892256
4-Aminobutyraldehyde,2TMS,isomer #1	C[Si](C)(C)NCCC=CO[Si](C)(C)C	1321.2	Standard polar	33892256
4-Aminobutyraldehyde,2TMS,isomer #2	C[Si](C)(C)N(CCCC=O)[Si](C)(C)C	1311.0	Semi standard non polar	33892256
4-Aminobutyraldehyde,2TMS,isomer #2	C[Si](C)(C)N(CCCC=O)[Si](C)(C)C	1300.2	Standard non polar	33892256
4-Aminobutyraldehyde,2TMS,isomer #2	C[Si](C)(C)N(CCCC=O)[Si](C)(C)C	1342.9	Standard polar	33892256
4-Aminobutyraldehyde,3TMS,isomer #1	C[Si](C)(C)OC=CCCN([Si](C)(C)C)[Si](C)(C)C	1475.3	Semi standard non polar	33892256
4-Aminobutyraldehyde,3TMS,isomer #1	C[Si](C)(C)OC=CCCN([Si](C)(C)C)[Si](C)(C)C	1448.4	Standard non polar	33892256
4-Aminobutyraldehyde,3TMS,isomer #1	C[Si](C)(C)OC=CCCN([Si](C)(C)C)[Si](C)(C)C	1368.6	Standard polar	33892256
4-Aminobutyraldehyde,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=CCCN	1277.1	Semi standard non polar	33892256
4-Aminobutyraldehyde,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=CCCN	1268.9	Standard non polar	33892256
4-Aminobutyraldehyde,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=CCCN	1785.2	Standard polar	33892256
4-Aminobutyraldehyde,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC=O	1329.1	Semi standard non polar	33892256
4-Aminobutyraldehyde,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC=O	1317.1	Standard non polar	33892256
4-Aminobutyraldehyde,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC=O	1489.2	Standard polar	33892256
4-Aminobutyraldehyde,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCC=CO[Si](C)(C)C(C)(C)C	1689.4	Semi standard non polar	33892256
4-Aminobutyraldehyde,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCC=CO[Si](C)(C)C(C)(C)C	1700.3	Standard non polar	33892256
4-Aminobutyraldehyde,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCC=CO[Si](C)(C)C(C)(C)C	1584.8	Standard polar	33892256
4-Aminobutyraldehyde,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCC=O)[Si](C)(C)C(C)(C)C	1709.1	Semi standard non polar	33892256
4-Aminobutyraldehyde,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCC=O)[Si](C)(C)C(C)(C)C	1703.4	Standard non polar	33892256
4-Aminobutyraldehyde,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCC=O)[Si](C)(C)C(C)(C)C	1549.0	Standard polar	33892256
4-Aminobutyraldehyde,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2065.7	Semi standard non polar	33892256
4-Aminobutyraldehyde,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2064.6	Standard non polar	33892256
4-Aminobutyraldehyde,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1708.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Aminobutyraldehyde GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9000000000-94697e4ef2bcd3d60d5e	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Aminobutyraldehyde GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 10V, Positive-QTOF	splash10-00dr-9000000000-fd2685ec491cf38768ee	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 20V, Positive-QTOF	splash10-00di-9000000000-60f7776b7139a61c4f4b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 40V, Positive-QTOF	splash10-0006-9000000000-6e8079ea34a19e4872b5	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 10V, Negative-QTOF	splash10-000i-9000000000-e49664a7c668c7c29694	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 20V, Negative-QTOF	splash10-000i-9000000000-a83b936ba2b53f85e38a	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 40V, Negative-QTOF	splash10-0006-9000000000-b0d6add4724e3c8624ec	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 10V, Positive-QTOF	splash10-00dl-9000000000-884ccf15aae061d40a59	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 20V, Positive-QTOF	splash10-0006-9000000000-2b042b066a8512d7a90f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 40V, Positive-QTOF	splash10-0006-9000000000-d74d71aeb5b03e31d403	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 10V, Negative-QTOF	splash10-000i-9000000000-cac7a5f55f0489e13d41	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 20V, Negative-QTOF	splash10-014r-9000000000-a11930dc09365c654491	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminobutyraldehyde 40V, Negative-QTOF	splash10-0006-9000000000-c5fd6cf3b0d48066b65c	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

4-AMINO-BUTYRALDEHYDE

BiGG ID

35337

Wikipedia Link

Not Available

METLIN ID

3225

PubChem Compound

118

PDB ID

Not Available

ChEBI ID

17769

Food Biomarker Ontology

Not Available

VMH ID

4ABUTN

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Asakura, Tadashi; Takada, Koji; Ikeda, Yoshitaka; Matsuda, Makoto. Preparation of 4-aminobutyraldehyde and its properties on ion exchange chromatography. Jikeikai Medical Journal (1988), 35(1), 23-31.

Material Safety Data Sheet (MSDS)

Not Available

General References

Kikonyogo A, Pietruszko R: Aldehyde dehydrogenase from adult human brain that dehydrogenates gamma-aminobutyraldehyde: purification, characterization, cloning and distribution. Biochem J. 1996 May 15;316 ( Pt 1):317-24. [PubMed:8645224 ]
Kurys G, Shah PC, Kikonygo A, Reed D, Ambroziak W, Pietruszko R: Human aldehyde dehydrogenase. cDNA cloning and primary structure of the enzyme that catalyzes dehydrogenation of 4-aminobutyraldehyde. Eur J Biochem. 1993 Dec 1;218(2):311-20. [PubMed:8269919 ]
McPherson JD, Wasmuth JJ, Kurys G, Pietruszko R: Human aldehyde dehydrogenase: chromosomal assignment of the gene for the isozyme that metabolizes gamma-aminobutyraldehyde. Hum Genet. 1994 Feb;93(2):211-2. [PubMed:8112751 ]
Ambroziak W, Kurys G, Pietruszko R: Aldehyde dehydrogenase (EC 1.2.1.3): comparison of subcellular localization of the third isozyme that dehydrogenates gamma-aminobutyraldehyde in rat, guinea pig and human liver. Comp Biochem Physiol B. 1991;100(2):321-7. [PubMed:1799975 ]
Ambroziak W, Pietruszko R: Human aldehyde dehydrogenase: metabolism of putrescine and histamine. Alcohol Clin Exp Res. 1987 Dec;11(6):528-32. [PubMed:3324802 ]
Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Enzymes

Enzyme Details

1. 4-trimethylaminobutyraldehyde dehydrogenase

General function:: Involved in oxidoreductase activity
Specific function:: Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine. Catalyzes the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction.
Gene Name:: ALDH9A1
Uniprot ID:: P49189
Molecular weight:: 56291.485

Reactions

4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH	details
4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Ion	details
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Ion	details

Enzyme Details

2. Alpha-aminoadipic semialdehyde dehydrogenase

General function:: Involved in oxidoreductase activity
Specific function:: Multifunctional enzyme mediating important protective effects. Metabolizes betaine aldehyde to betaine, an important cellular osmolyte and methyl donor. Protects cells from oxidative stress by metabolizing a number of lipid peroxidation-derived aldehydes. Involved in lysine catabolism.
Gene Name:: ALDH7A1
Uniprot ID:: P49419
Molecular weight:: 58486.74

Reactions

4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Ion	details
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Ion	details

Enzyme Details

3. Aldehyde dehydrogenase family 1 member A3

General function:: Involved in oxidoreductase activity
Specific function:: Recognizes as substrates free retinal and cellular retinol-binding protein-bound retinal. Seems to be the key enzyme in the formation of an RA gradient along the dorso-ventral axis during the early eye development and also in the development of the olfactory system (By similarity).
Gene Name:: ALDH1A3
Uniprot ID:: P47895
Molecular weight:: 56107.995

Enzyme Details

4. Aldehyde dehydrogenase, mitochondrial

General function:: Involved in oxidoreductase activity
Specific function:: Not Available
Gene Name:: ALDH2
Uniprot ID:: P05091
Molecular weight:: 56380.93

Reactions

4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Ion	details
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Ion	details

Enzyme Details

5. Fatty aldehyde dehydrogenase

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidation of long-chain aliphatic aldehydes to fatty acids. Active on a variety of saturated and unsaturated aliphatic aldehydes between 6 and 24 carbons in length. Responsible for conversion of the sphingosine 1-phosphate (S1P) degradation product hexadecenal to hexadecenoic acid.
Gene Name:: ALDH3A2
Uniprot ID:: P51648
Molecular weight:: 54847.36

Reactions

4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Ion	details
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Ion	details

Enzyme Details

6. Aldehyde dehydrogenase X, mitochondrial

General function:: Involved in oxidoreductase activity
Specific function:: ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation.
Gene Name:: ALDH1B1
Uniprot ID:: P30837
Molecular weight:: 57248.96

Reactions

4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Ion	details
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Ion	details

Enzyme Details

7. Amiloride-sensitive amine oxidase [copper-containing]

General function:: Involved in copper ion binding
Specific function:: Catalyzes the degradation of compounds such as putrescine, histamine, spermine, and spermidine, substances involved in allergic and immune responses, cell proliferation, tissue differentiation, tumor formation, and possibly apoptosis. Placental DAO is thought to play a role in the regulation of the female reproductive function.
Gene Name:: ABP1
Uniprot ID:: P19801
Molecular weight:: 85377.1

Reactions

Putrescine + Oxygen + Water → 4-Aminobutyraldehyde + Ammonia + Hydrogen peroxide	details

Showing metabocard for 4-Aminobutyraldehyde (HMDB0001080)

MOL for HMDB0001080 (4-Aminobutyraldehyde)

3D MOL for HMDB0001080 (4-Aminobutyraldehyde)

3D SDF for HMDB0001080 (4-Aminobutyraldehyde)

3D-SDF for HMDB0001080 (4-Aminobutyraldehyde)

PDB for HMDB0001080 (4-Aminobutyraldehyde)

3D PDB for HMDB0001080 (4-Aminobutyraldehyde)

SMILES for HMDB0001080 (4-Aminobutyraldehyde)

INCHI for HMDB0001080 (4-Aminobutyraldehyde)

Structure for HMDB0001080 (4-Aminobutyraldehyde)

3D Structure for HMDB0001080 (4-Aminobutyraldehyde)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions

Reactions

Reactions