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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (6) Show 6 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-10-31 13:02:28 UTC

Update Date

2023-02-21 17:17:06 UTC

HMDB ID

HMDB0005175

Secondary Accession Numbers

HMDB05175

Metabolite Identification

Common Name

Homovanillin

Description

Homovanillin, also known as HMPAL, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Homovanillin is an extremely weak basic (essentially neutral) compound (based on its pKa). Homovanillin exists in all living organisms, ranging from bacteria to humans. Within humans, homovanillin participates in a number of enzymatic reactions. In particular, homovanillin can be converted into p-hydroxyphenylacetic acid through its interaction with the enzyme aldehyde dehydrogenase, dimeric nadp-preferring. In addition, homovanillin can be biosynthesized from tyramine through its interaction with the enzyme amiloride-sensitive amine oxidase [copper-containing]. In humans, homovanillin is involved in the metabolic disorder called tyrosinemia type I. Homovanillin is a floral and vanilla tasting compound. Outside of the human body,.

Structure

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

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      28.286 -23.129   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      25.618 -24.669   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      29.620 -30.059   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      29.620 -26.979   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      29.620 -25.439   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      30.953 -27.749   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.286 -24.669   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      28.286 -27.749   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      26.952 -25.439   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      26.952 -26.979   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.953 -29.289   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      29.620 -22.359   0.000  0.00  0.00           C+0
CONECT    1    7   12                                                       
CONECT    2    9                                                            
CONECT    3   11                                                            
CONECT    4    5    6    8                                                  
CONECT    5    4    7                                                       
CONECT    6    4   11                                                       
CONECT    7    1    5    9                                                  
CONECT    8    4   10                                                       
CONECT    9    2    7   10                                                  
CONECT   10    8    9                                                       
CONECT   11    3    6                                                       
CONECT   12    1                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-Methoxy-4-hydroxyphenylacetaldehyde	ChEBI
4-Hydroxy-3-methoxybenzeneacetaldehyde	ChEBI
HMPAL	ChEBI
(4-Hydroxy-3-methoxyphenyl)acetaldehyde	Kegg
2-(4-Hydroxy-3-methoxyphenyl) ethanal	HMDB
4-Hydroxy-3-methoxy-benzeneacetaldehyde	HMDB

Chemical Formula

C₉H₁₀O₃

Average Molecular Weight

166.1739

Monoisotopic Molecular Weight

166.062994186

IUPAC Name

2-(4-hydroxy-3-methoxyphenyl)acetaldehyde

Traditional Name

homovanillin

CAS Registry Number

5703-24-2

SMILES

COC1=C(O)C=CC(CC=O)=C1

InChI Identifier

InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3

InChI Key

GOQGGGANVKPMNH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Phenylacetaldehyde
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Alpha-hydrogen aldehyde
Ether
Aldehyde
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

alpha-CH2-containing aldehyde (CHEBI:28111 )
phenylacetaldehydes (CHEBI:28111 )

Ontology

Cellular substructure

Cytoplasm (HMDB: HMDB0005175)

Source

Endogenous

Endogenous (HMDB: HMDB0005175)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Tyrosine Metabolism (HMDB: HMDB0005175)
Tyrosine Metabolism (HMDB: HMDB0005175)

Disease pathway

Alkaptonuria (PathBank: SMP0000169)
Hawkinsinuria (PathBank: SMP0000190)
Tyrosinemia Type I (PathBank: SMP0000218)
Tyrosinemia, Transient, of the Newborn (PathBank: SMP0000494)
Dopamine beta-Hydroxylase Deficiency (PathBank: SMP0000498)
Monoamine Oxidase-A Deficiency (MAO-A) (PathBank: SMP0000533)

Drug action pathway

Disulfiram Action Pathway (PathBank: SMP0000429)
Disulfiram Action Pathway (HMDB: HMDB0005175)

Role

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	2.9 g/L	ALOGPS
logP	1.52	ALOGPS
logP	0.99	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	9.94	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	44.88 m³·mol⁻¹	ChemAxon
Polarizability	16.81 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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]+	137.078	31661259
DarkChem	[M-H]-	133.31	31661259
DeepCCS	[M+H]+	135.759	30932474
DeepCCS	[M-H]-	131.997	30932474
DeepCCS	[M-2H]-	169.774	30932474
DeepCCS	[M+Na]+	145.313	30932474
AllCCS	[M+H]+	135.8	32859911
AllCCS	[M+H-H2O]+	131.4	32859911
AllCCS	[M+NH4]+	139.9	32859911
AllCCS	[M+Na]+	141.1	32859911
AllCCS	[M-H]-	134.4	32859911
AllCCS	[M+Na-2H]-	135.5	32859911
AllCCS	[M+HCOO]-	136.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Homovanillin	COC1=C(O)C=CC(CC=O)=C1	2581.9	Standard polar	33892256
Homovanillin	COC1=C(O)C=CC(CC=O)=C1	1407.8	Standard non polar	33892256
Homovanillin	COC1=C(O)C=CC(CC=O)=C1	1488.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Homovanillin,1TMS,isomer #1	COC1=CC(CC=O)=CC=C1O[Si](C)(C)C	1600.6	Semi standard non polar	33892256
Homovanillin,1TMS,isomer #2	COC1=CC(C=CO[Si](C)(C)C)=CC=C1O	1799.5	Semi standard non polar	33892256
Homovanillin,2TMS,isomer #1	COC1=CC(C=CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1849.5	Semi standard non polar	33892256
Homovanillin,2TMS,isomer #1	COC1=CC(C=CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1820.5	Standard non polar	33892256
Homovanillin,2TMS,isomer #1	COC1=CC(C=CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2031.2	Standard polar	33892256
Homovanillin,1TBDMS,isomer #1	COC1=CC(CC=O)=CC=C1O[Si](C)(C)C(C)(C)C	1855.5	Semi standard non polar	33892256
Homovanillin,1TBDMS,isomer #2	COC1=CC(C=CO[Si](C)(C)C(C)(C)C)=CC=C1O	2047.3	Semi standard non polar	33892256
Homovanillin,2TBDMS,isomer #1	COC1=CC(C=CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2359.0	Semi standard non polar	33892256
Homovanillin,2TBDMS,isomer #1	COC1=CC(C=CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2268.7	Standard non polar	33892256
Homovanillin,2TBDMS,isomer #1	COC1=CC(C=CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2269.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Homovanillin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0079-1900000000-e28b59106188528267be	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homovanillin GC-MS (1 TMS) - 70eV, Positive	splash10-00di-6970000000-a597b09f1ff1acebbc8a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homovanillin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homovanillin 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 - Homovanillin 10V, Positive-QTOF	splash10-014i-0900000000-d1e8f15334f430895ace	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 20V, Positive-QTOF	splash10-014s-1900000000-e7c5332202c6a2921d0b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 40V, Positive-QTOF	splash10-0a4j-9500000000-8692ad76fd38a1c456dc	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 10V, Negative-QTOF	splash10-014i-0900000000-5560a290417d5b338a9f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 20V, Negative-QTOF	splash10-014i-0900000000-ecdd9295a0eb88d0d20c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 40V, Negative-QTOF	splash10-0006-9600000000-3121b7d402f23864e3a8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 10V, Positive-QTOF	splash10-052r-0900000000-a06af236d75a4fe9514a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 20V, Positive-QTOF	splash10-0a4r-1900000000-824acd5fd49e69091de8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 40V, Positive-QTOF	splash10-0a4r-9600000000-55f5cc9088e21fdfd192	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 10V, Negative-QTOF	splash10-01bi-0900000000-15f57513fdfffda8fc45	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 20V, Negative-QTOF	splash10-00di-0900000000-abbd129d0f4894a88d6a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homovanillin 40V, Negative-QTOF	splash10-014l-9100000000-f583c2db9bbeb78e47be	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Tyrosine metabolism	Not Available
Alkaptonuria		Not Available
Hawkinsinuria		Not Available
Tyrosinemia Type I		Not Available
Tyrosinemia, transient, of the newborn		Not Available

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

FDB023632

KNApSAcK ID

Not Available

Chemspider ID

133331

KEGG Compound ID

C05581

BioCyc ID

Not Available

BiGG ID

46064

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

151276

PDB ID

Not Available

ChEBI ID

28111

Food Biomarker Ontology

Not Available

VMH ID

3MOX4HPAC

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Harries, C. Homovanillin. Berichte der Deutschen Chemischen Gesellschaft (1915), 48 868-9. CODEN: BDCGAS ISSN:0365-9496. CAN 9:13972 AN 1915:13972

Material Safety Data Sheet (MSDS)

Not Available

General References

Mardh G, Vallee BL: Human class I alcohol dehydrogenases catalyze the interconversion of alcohols and aldehydes in the metabolism of dopamine. Biochemistry. 1986 Nov 18;25(23):7279-82. [PubMed:2432930 ]

Enzymes

Enzyme Details

1. Amine oxidase [flavin-containing] B

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOB preferentially degrades benzylamine and phenylethylamine.
Gene Name:: MAOB
Uniprot ID:: P27338
Molecular weight:: 58762.475

Reactions

3-Methoxytyramine + Water + Oxygen → Homovanillin + Hydrogen peroxide + Ammonia	details

Enzyme Details

2. Amine oxidase [flavin-containing] A

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOA preferentially oxidizes biogenic amines such as 5-hydroxytryptamine (5-HT), norepinephrine and epinephrine.
Gene Name:: MAOA
Uniprot ID:: P21397
Molecular weight:: 59681.27

Reactions

3-Methoxytyramine + Water + Oxygen → Homovanillin + Hydrogen peroxide + Ammonia	details

Enzyme Details

3. Aldehyde dehydrogenase, dimeric NADP-preferring

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. This protein preferentially oxidizes aromatic aldehyde substrates. It may play a role in the oxidation of toxic aldehydes.
Gene Name:: ALDH3A1
Uniprot ID:: P30838
Molecular weight:: 50394.57

Reactions

Homovanillin + NAD + Water → Homovanillic acid + NADH + Hydrogen Ion	details
Homovanillin + NADP + Water → Homovanillic acid + NADPH + Hydrogen Ion	details

Enzyme Details

4. 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

Reactions

Homovanillin + NAD + Water → Homovanillic acid + NADH + Hydrogen Ion	details
Homovanillin + NADP + Water → Homovanillic acid + NADPH + Hydrogen Ion	details

Enzyme Details

5. Aldehyde dehydrogenase family 3 member B2

General function:: Involved in oxidoreductase activity
Specific function:: Not Available
Gene Name:: ALDH3B2
Uniprot ID:: P48448
Molecular weight:: 42623.62

Reactions

Homovanillin + NAD + Water → Homovanillic acid + NADH + Hydrogen Ion	details
Homovanillin + NADP + Water → Homovanillic acid + NADPH + Hydrogen Ion	details

Enzyme Details

6. Aldehyde dehydrogenase family 3 member B1

General function:: Involved in oxidoreductase activity
Specific function:: Oxidizes medium and long chain saturated and unsaturated aldehydes. Metabolizes also benzaldehyde. Low activity towards acetaldehyde and 3,4-dihydroxyphenylacetaldehyde. May not metabolize short chain aldehydes. May use both NADP(+) and NAD(+) as cofactors. May have a protective role against the cytotoxicity induced by lipid peroxidation.
Gene Name:: ALDH3B1
Uniprot ID:: P43353
Molecular weight:: 51839.245

Reactions

Homovanillin + NAD + Water → Homovanillic acid + NADH + Hydrogen Ion	details
Homovanillin + NADP + Water → Homovanillic acid + NADPH + Hydrogen Ion	details

Showing metabocard for Homovanillin (HMDB0005175)

MOL for HMDB0005175 (Homovanillin)

3D MOL for HMDB0005175 (Homovanillin)

3D SDF for HMDB0005175 (Homovanillin)

3D-SDF for HMDB0005175 (Homovanillin)

PDB for HMDB0005175 (Homovanillin)

3D PDB for HMDB0005175 (Homovanillin)

SMILES for HMDB0005175 (Homovanillin)

INCHI for HMDB0005175 (Homovanillin)

Structure for HMDB0005175 (Homovanillin)

3D Structure for HMDB0005175 (Homovanillin)

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