MiMeDB: Showing metabocard for L-2,4-diaminobutanoic acid (MMDBc0054529)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:16:48 UTC

Update Date

2025-10-07 16:08:33 UTC

Metabolite ID

MMDBc0054529

Metabolite Identification

Common Name

L-2,4-diaminobutanoic acid

Description

L-2,4-diaminobutanoic acid is a cationic amino acid that plays a significant role in various biochemical pathways and synthetic chemistry. Its chemical structure features two amino groups attached to the second and fourth carbon atoms of a four-carbon backbone, which contributes to its basic properties and reactivity. In research, L-2,4-diaminobutanoic acid has been utilized in the development of artificial oligopeptides, demonstrating its ability to bind phosphates in nucleic acid structures (PMID:39252874 ). Additionally, it has been shown to enhance the thermal and biological stability of A-type duplexes, indicating its importance in stabilizing molecular structures (PMID:36850058 ). The compound has also been involved in strategies to resist proteolytic hydrolysis, highlighting its potential in therapeutic applications (PMID:36162762 ). Furthermore, L-2,4-diaminobutanoic acid has been incorporated into antimicrobial peptides, suggesting its utility in enhancing antimicrobial activity (PMID:8035423 ). Its derivatives have been synthesized for various applications, including the inactivation of key enzymes in metabolic pathways, showcasing its versatility in both synthetic and biological contexts (PMID:3089958 ).

Structure

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

Synonyms

Value	Source
(S)-2,4-Diaminobutanoic acid	ChEBI
alpha,gamma-Diaminobutyrate	ChEBI
Dbu	ChEBI
L-2,4-Diaminobutanoate	ChEBI
L-2,4-Diaminobutanoic acid	ChEBI
L-2,4-Diaminobutyrate	ChEBI
L-Dbu	ChEBI
L-Diaminobutyric acid	ChEBI
(S)-2,4-Diaminobutanoate	Generator
a,g-Diaminobutyrate	Generator
a,g-Diaminobutyric acid	Generator
alpha,gamma-Diaminobutyric acid	Generator
Α,γ-diaminobutyrate	Generator
Α,γ-diaminobutyric acid	Generator
L-Diaminobutyrate	Generator
(S)-2,4-diamino-Butanoate	HMDB
(S)-2,4-diamino-Butanoic acid	HMDB
(S)-2,4-Diaminobutyric acid	HMDB
L-2,4-diamino-Butyric acid	HMDB
L-2,4-diamino-N-Butyric acid	HMDB
L-alpha,gamma-Diaminobutyric acid	HMDB
L-DABA	HMDB
2,4-Diaminobutyric acid dihydrochloride, (+-)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid monohydrochloride, (+-)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid, (+)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid, (+-)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid, (R)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid, (S)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid dihydrochloride, (S)-isomer	MeSH, HMDB
2,4-Diaminobutyric acid	MeSH, HMDB
2,4-Diaminobutyric acid monohydrochloride, (S)-isomer	MeSH, HMDB

Molecular Formula

C₄H₁₀N₂O₂

Average Mass

118.1344

Monoisotopic Mass

118.074227574

IUPAC Name

(2S)-2,4-diaminobutanoic acid

Traditional Name

2,4-diaminobutyric acid

CAS Registry Number

Not Available

SMILES

NCC[C@H](N)C(O)=O

InChI Identifier

InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

InChI Key

OGNSCSPNOLGXSM-VKHMYHEASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Amino fatty acid
Fatty acid
Fatty acyl
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

2,4-diaminobutyric acid (CHEBI:48950 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	270 g/L	ALOGPS
logP	-3.7	ALOGPS
logP	-4	ChemAxon
logS	0.36	ALOGPS
pKa (Strongest Acidic)	2.55	ChemAxon
pKa (Strongest Basic)	10.25	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	89.34 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	28.56 m³·mol⁻¹	ChemAxon
Polarizability	11.89 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 - GC-MS (3 TMS)	splash10-0udi-0910000000-c063d8231376ede53de2	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (5 TMS)	splash10-0fe0-2910000000-db971ca13fbd6bdfb5f2	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-0fki-1930000000-f3933f38127537d9d178	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0udi-0910000000-c063d8231376ede53de2	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0fe0-2910000000-db971ca13fbd6bdfb5f2	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0fki-1930000000-f3933f38127537d9d178	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0089-9000000000-0ff95cc18b5212b1c153	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0uk9-8900000000-25af6f5f252b501941e0	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
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0uxr-1900000000-499115725bc286b22b97	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0uk9-9800000000-2846e6524438703ab54d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0ab9-9000000000-d101f60f5f0933b1cc22	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0a4l-9000000000-b4fce69a41761f7bd63e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0006-9000000000-235022305b68ba272d34	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-106r-9700000000-6ecfd43a641703f25d64	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0ab9-9100000000-b709fbaf63ddc2f4c0df	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-76fb37fe98b182da1a5b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-2900000000-3208832c46b361f3099e	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-8900000000-2ec3d4f8ca96f4005562	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-006x-9000000000-045583f642e304aeaaf7	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00xr-9700000000-fdbd4f0e5bb81c5569f4	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-880db7b265999a2be6b5	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-b2689f286fc18087ebce	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-1900000000-de9219963e7858b4c55a	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-4900000000-2a4facf9f300cca66157	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-d4591f1517185fa3d719	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	548.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	453.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	37.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	216.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (void)	2025-10-24	269.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	310.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	363.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	1019.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	753.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	194.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	694.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	207.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	42.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	427.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	899.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	107.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	338.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	545.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	536.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_1	C[Si](C)(C)OC(=O)[C@@H](N)CCN	standard non polar	2025-10-24	1736.28
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_2	C[Si](C)(C)NCC[C@H](N)C(=O)O	standard non polar	2025-10-24	1867.65
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_3	C[Si](C)(C)N[C@@H](CCN)C(=O)O	standard non polar	2025-10-24	2215.68
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_4	C[Si](C)(C)N[C@@H](CCN)C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	1790.51
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_5	C[Si](C)(C)NCC[C@H](N)C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	2078.08
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_6	C[Si](C)(C)NCC[C@H](N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-24	1737.8
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_7	C[Si](C)(C)N(CC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	2158.7
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_8	C[Si](C)(C)N([C@@H](CCN)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	1618.27
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_9	C[Si](C)(C)NCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	2154.32
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_10	C[Si](C)(C)OC(=O)[C@H](CCN)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2068.78
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_11	C[Si](C)(C)OC(=O)[C@@H](N)CCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1953.91
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_12	C[Si](C)(C)N[C@@H](CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-24	2358.55
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_13	C[Si](C)(C)NCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2106.62
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_14	C[Si](C)(C)N[C@@H](CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	2150.91
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_15	C[Si](C)(C)NCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1674.81
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_16	C[Si](C)(C)N(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1608.26
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_17	C[Si](C)(C)OC(=O)[C@H](CCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1866.37
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_1	C[Si](C)(C)OC(=O)[C@@H](N)CCN	standard polar	2025-10-24	1949.28
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_2	C[Si](C)(C)NCC[C@H](N)C(=O)O	standard polar	2025-10-24	2316.11
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_3	C[Si](C)(C)N[C@@H](CCN)C(=O)O	standard polar	2025-10-24	2030.99
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_4	C[Si](C)(C)N[C@@H](CCN)C(=O)O[Si](C)(C)C	standard polar	2025-10-24	1980.18
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_5	C[Si](C)(C)NCC[C@H](N)C(=O)O[Si](C)(C)C	standard polar	2025-10-24	2162.61
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_6	C[Si](C)(C)NCC[C@H](N[Si](C)(C)C)C(=O)O	standard polar	2025-10-24	1755.59
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_7	C[Si](C)(C)N(CC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-24	2152.28
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_8	C[Si](C)(C)N([C@@H](CCN)C(=O)O)[Si](C)(C)C	standard polar	2025-10-24	2267.42
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_9	C[Si](C)(C)NCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-24	1972.26
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_10	C[Si](C)(C)OC(=O)[C@H](CCN)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1898.91
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_11	C[Si](C)(C)OC(=O)[C@@H](N)CCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2107.38
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_12	C[Si](C)(C)N[C@@H](CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-24	1960.63
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_13	C[Si](C)(C)NCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1481.6
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_14	C[Si](C)(C)N[C@@H](CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-24	1150.0
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_15	C[Si](C)(C)NCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1670.9
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_16	C[Si](C)(C)N(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2311.93
Gas Chromatography	L-2,4-diaminobutanoic acid_TMS_17	C[Si](C)(C)OC(=O)[C@H](CCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3064.07

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria

Biospecimen Locations

Blood
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
MMDBp0191918	4-aminobutyrate aminotransferase, mitochondrial	Enzyme	P80404	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alzheimer's disease		Association	Human Blood	HMDB	17031479
Alzheimer's disease		Association	Human Urine	HMDB	17031479

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites
Bacteria/Eubacteria	Proteobacteria	10	Human ; Human subgingival plaque; Human feces; Cattle
Bacteria/Eubacteria	Firmicutes	3	Human feces
Bacteria	Firmicutes	3	Human feces
Bacteria/Eubacteria	Actinobacteria	4	Human
Bacteria	Proteobacteria	1	Human ; Human subgingival plaque; Human feces; Cattle

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Blood	Detected and Quantified	116.35	10.0			uM	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	17031479
Human Urine	Detected and Quantified	36.0	5.0			umol/mmol creatinine	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	17031479

External Links

HMDB ID

HMDB0006284

DrugBank ID

DB03817

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

134490

PDB ID

DAB

ChEBI ID

48950

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for L-2,4-diaminobutanoic acid (MMDBc0054529)

MOL for #<Metabolite:0x0000564321f2ef30>

3D MOL for #<Metabolite:0x0000564321f2ef30>

3D SDF for #<Metabolite:0x0000564321f2ef30>

3D-SDF for #<Metabolite:0x0000564321f2ef30>

PDB for #<Metabolite:0x0000564321f2ef30>

3D PDB for #<Metabolite:0x0000564321f2ef30>

SMILES for #<Metabolite:0x0000564321f2ef30>

INCHI for #<Metabolite:0x0000564321f2ef30>

Structure for #<Metabolite:0x0000564321f2ef30>

3D Structure for #<Metabolite:0x0000564321f2ef30>