MiMeDB: Showing metabocard for Beta-Guanidinopropionic acid (MMDBc0000657)

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:52:05 UTC

Update Date

2024-10-17 08:22:54 UTC

Metabolite ID

MMDBc0000657

Metabolite Identification

Common Name

Beta-Guanidinopropionic acid

Description

Beta-Guanidinopropionic acid is analog of creatine and is reported to decrease phosphocreatine and ATP content in animal tissues in vivo.

Structure

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

Synonyms

Value	Source
3-Guanidinopropanoate	ChEBI
beta-GPA	ChEBI
N-[Amino(imino)methyl]-beta-alanine	ChEBI
Guanidinopropionic acid	Kegg
3-Guanidinopropanoic acid	Generator
b-GPA	Generator
Β-gpa	Generator
N-[Amino(imino)methyl]-b-alanine	Generator
N-[Amino(imino)methyl]-β-alanine	Generator
Guanidinopropionate	Generator
b-Guanidinopropionate	Generator
b-Guanidinopropionic acid	Generator
beta-Guanidinopropionate	Generator
Β-guanidinopropionate	Generator
Β-guanidinopropionic acid	Generator
3-Guanidinopropionic acid	HMDB
beta-Guanadinopropionate	HMDB
beta-Guanidinopropionic acid.	HMDB
beta-Guanidine propionic acid	MeSH, HMDB
Guanidine propionate	MeSH, HMDB
beta-Guanidinopropionic acid	ChEBI
Amidino beta-alanine	MeSH

Molecular Formula

C₄H₉N₃O₂

Average Mass

131.1332

Monoisotopic Mass

131.069476547

IUPAC Name

3-carbamimidamidopropanoic acid

Traditional Name

3-guanidinopropanoic acid

CAS Registry Number

Not Available

SMILES

NC(=N)NCCC(O)=O

InChI Identifier

InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)

InChI Key

KMXXSJLYVJEBHI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Guanidines

Direct Parent

Guanidines

Alternative Parents

Substituents

Guanidine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

guanidines (CHEBI:15968 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	3.39 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-2.9	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.98	ChemAxon
pKa (Strongest Basic)	12.62	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	99.2 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	41.42 m³·mol⁻¹	ChemAxon
Polarizability	12.49 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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0076-9100000000-351fe5459bc2aa982f1d	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9700000000-8fa57b59d32757572966	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-QTOF , negative	splash10-000i-9000000000-4458e96907418a84d54b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-001i-0900000000-555c4102f4a65d8aed9b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-00di-9400000000-202f65d00956e051d5b0	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-00di-9000000000-2ba68363493ccaf36ede	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-05fr-9000000000-245d3980a77046e1db8d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-052f-9000000000-4659c75c5d7116058d41	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0089-6900000000-23e0505168600ceb154d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03k9-9000000000-04ea2687312454f3f43b	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-2900000000-d05e3c3a923d5ffaf398	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03k9-9200000000-6b780b0080ec3851a2a1	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03fu-9000000000-585f46f520a38f066ad0	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001r-9600000000-e7ba0696feae67ecd2c1	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-059l-9000000000-1ad5c9a7f49f2b5eab63	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-28676e3aacf9b4d8ea55	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-9000000000-d58857401b43d8ccc8b5	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-006x-9000000000-5900927063e733df75f2	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-1c8520c5f7efb1187e43	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-02tc-7900000000-23251cef83c81d03c926	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9000000000-9b84fcc1808b7ece8370	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9000000000-dd976c4f7e1faaec59fd	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	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)	2025-10-23	481.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	357.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	39.1
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	220.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (void)	2025-10-23	278.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	326.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	406.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	848.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	785.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	194.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	516.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	211.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	37.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	359.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	798.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	86.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	312.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (void)	2025-10-23	635.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	567.6

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_1	C[Si](C)(C)OC(=O)CCNC(=N)N	standard non polar	2025-10-23	1697.39
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_2	C[Si](C)(C)NC(=N)NCCC(=O)O	standard non polar	2025-10-23	1925.56
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_3	C[Si](C)(C)N=C(N)NCCC(=O)O	standard non polar	2025-10-23	2115.94
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_4	C[Si](C)(C)N(CCC(=O)O)C(=N)N	standard non polar	2025-10-23	2100.18
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_5	C[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1891.83
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_6	C[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C	standard non polar	2025-10-23	1891.91
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_7	C[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1903.02
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_8	C[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2040.54
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_9	C[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C	standard non polar	2025-10-23	2045.0
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_10	C[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2313.89
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_11	C[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2413.29
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_12	C[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1389.97
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_13	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C	standard non polar	2025-10-23	2226.35
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_14	C[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1187.24
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_15	C[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1811.32
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_16	C[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2210.71
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_17	C[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1583.0
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1907.79
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_19	C[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2127.17
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_20	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1818.96
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_21	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2271.69
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_22	C[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1834.44
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_23	C[Si](C)(C)N=C(N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1996.04
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_1	C[Si](C)(C)OC(=O)CCNC(=N)N	standard polar	2025-10-23	2072.45
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_2	C[Si](C)(C)NC(=N)NCCC(=O)O	standard polar	2025-10-23	1927.98
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_3	C[Si](C)(C)N=C(N)NCCC(=O)O	standard polar	2025-10-23	2083.67
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_4	C[Si](C)(C)N(CCC(=O)O)C(=N)N	standard polar	2025-10-23	2062.0
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_5	C[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C	standard polar	2025-10-23	2419.03
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_6	C[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C	standard polar	2025-10-23	1942.19
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_7	C[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C	standard polar	2025-10-23	2326.68
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_8	C[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1263.63
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_9	C[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C	standard polar	2025-10-23	2337.41
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_10	C[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2104.59
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_11	C[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2260.07
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_12	C[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1748.16
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_13	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C	standard polar	2025-10-23	2382.06
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_14	C[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1850.17
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_15	C[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2474.41
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_16	C[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2657.67
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_17	C[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2424.53
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2288.41
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_19	C[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1552.42
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_20	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2555.09
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_21	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1881.81
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_22	C[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1915.0
Gas Chromatography	Beta-Guanidinopropionic acid_TMS_23	C[Si](C)(C)N=C(N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2161.1

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces

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

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
Uremia	Increased	Association	Human Blood	HMDB	12675874

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Archaea	Euryarchaeota	1	Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria/Eubacteria	Proteobacteria	1	Human

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Blood	Detected and Quantified	0.220	0.140	uM	Adult (>18 years old)	Both	Uremia	HMDB	12675874
Human Blood	Detected and Quantified	<0.0252		uM	Adult (>18 years old)	Both	Normal	HMDB	12675874
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0013222

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029341

KNApSAcK ID

Not Available

Chemspider ID

61020

KEGG Compound ID

C03065

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Guanidinopropionic_acid

METLIN ID

Not Available

PubChem Compound

67701

PDB ID

Not Available

ChEBI ID

15968

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Metzner L, Dorn M, Markwardt F, Brandsch M: The orally active antihyperglycemic drug beta-guanidinopropionic acid is transported by the human proton-coupled amino acid transporter hPAT1. Mol Pharm. 2009 May-Jun;6(3):1006-11. doi: 10.1021/mp9000684. [PubMed:19358571 ]
Oudman I, Clark JF, Brewster LM: The effect of the creatine analogue beta-guanidinopropionic acid on energy metabolism: a systematic review. PLoS One. 2013;8(1):e52879. doi: 10.1371/journal.pone.0052879. Epub 2013 Jan 9. [PubMed:23326362 ]

Showing metabocard for Beta-Guanidinopropionic acid (MMDBc0000657)

MOL for #<Metabolite:0x000056431f4f2d70>

3D MOL for #<Metabolite:0x000056431f4f2d70>

3D SDF for #<Metabolite:0x000056431f4f2d70>

3D-SDF for #<Metabolite:0x000056431f4f2d70>

PDB for #<Metabolite:0x000056431f4f2d70>

3D PDB for #<Metabolite:0x000056431f4f2d70>

SMILES for #<Metabolite:0x000056431f4f2d70>

INCHI for #<Metabolite:0x000056431f4f2d70>

Structure for #<Metabolite:0x000056431f4f2d70>

3D Structure for #<Metabolite:0x000056431f4f2d70>