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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2009-11-30 15:51:14 UTC

Update Date

2023-07-07 20:53:56 UTC

HMDB ID

HMDB0013222

Secondary Accession Numbers

HMDB13222

Metabolite Identification

Common Name

Guanidinopropionic acid

Description

Beta-Guanidinopropionic acid, also known as guanidinopropionate or N-[amino(imino)methyl]-b-alanine, 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. Based on a literature review a significant number of articles have been published on Beta-Guanidinopropionic acid.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

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

Chemical Formula

C₄H₉N₃O₂

Average Molecular Weight

131.1332

Monoisotopic Molecular Weight

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 )

Ontology

Physiological effect

Health effect

Renal system and urinary system

Renal disorder

Uremia (HMDB: HMDB0013222)

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 12675874)

Excreta

Biofluid or Excreta

Feces (PMID: 29808030)

Source

Endogenous

Endogenous (HMDB: HMDB0013222)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	299.10 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-1.680 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	128.268	31661259
DarkChem	[M-H]-	122.764	31661259
DeepCCS	[M+H]+	130.754	30932474
DeepCCS	[M-H]-	127.856	30932474
DeepCCS	[M-2H]-	164.239	30932474
DeepCCS	[M+Na]+	139.317	30932474
AllCCS	[M+H]+	130.6	32859911
AllCCS	[M+H-H2O]+	126.6	32859911
AllCCS	[M+NH4]+	134.4	32859911
AllCCS	[M+Na]+	135.5	32859911
AllCCS	[M-H]-	126.4	32859911
AllCCS	[M+Na-2H]-	129.2	32859911
AllCCS	[M+HCOO]-	132.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Beta-Guanidinopropionic acid	NC(=N)NCCC(O)=O	2568.5	Standard polar	33892256
Beta-Guanidinopropionic acid	NC(=N)NCCC(O)=O	1435.6	Standard non polar	33892256
Beta-Guanidinopropionic acid	NC(=N)NCCC(O)=O	1887.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Beta-Guanidinopropionic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CCNC(=N)N	1708.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,1TMS,isomer #2	C[Si](C)(C)NC(=N)NCCC(=O)O	1807.3	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,1TMS,isomer #3	C[Si](C)(C)N=C(N)NCCC(=O)O	1688.9	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,1TMS,isomer #4	C[Si](C)(C)N(CCC(=O)O)C(=N)N	1762.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C	1862.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C	1557.9	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C	3016.8	Standard polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C	1758.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C	1585.7	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C	2915.3	Standard polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #3	C[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C	1704.6	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #3	C[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C	1481.7	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #3	C[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C	2889.8	Standard polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #4	C[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C	1906.6	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #4	C[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C	1609.2	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #4	C[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C	2847.9	Standard polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #5	C[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C	1795.5	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #5	C[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C	1530.3	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #5	C[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C	2895.5	Standard polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C	1863.6	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C	1633.5	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C	2852.6	Standard polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C	1775.2	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C	1600.4	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C	2837.8	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	1916.2	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	1695.9	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	2504.1	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #2	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C	1832.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #2	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C	1484.4	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #2	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C	2659.0	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	1843.8	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	1697.8	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2557.6	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #4	C[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	1750.5	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #4	C[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	1557.5	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #4	C[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2735.3	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #5	C[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1867.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #5	C[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1670.8	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #5	C[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2512.5	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #6	C[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1875.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #6	C[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1791.9	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #6	C[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2504.5	Standard polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O)[Si](C)(C)C	1833.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O)[Si](C)(C)C	1636.7	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O)[Si](C)(C)C	2513.0	Standard polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1863.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1851.5	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2275.4	Standard polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #2	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1860.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #2	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1642.0	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #2	C[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2301.6	Standard polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	1827.8	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	1611.3	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2288.4	Standard polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #4	C[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1904.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #4	C[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1825.4	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TMS,isomer #4	C[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2128.6	Standard polar	33892256
Beta-Guanidinopropionic acid,5TMS,isomer #1	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	1911.8	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,5TMS,isomer #1	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	1816.8	Standard non polar	33892256
Beta-Guanidinopropionic acid,5TMS,isomer #1	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	1936.1	Standard polar	33892256
Beta-Guanidinopropionic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCNC(=N)N	1910.5	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NCCC(=O)O	2049.8	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCC(=O)O	1907.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCC(=O)O)C(=N)N	1956.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C(C)(C)C	2322.2	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C(C)(C)C	1930.0	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC(=O)O[Si](C)(C)C(C)(C)C	2863.0	Standard polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C(C)(C)C	2199.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C(C)(C)C	1982.8	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCN(C(=N)N)[Si](C)(C)C(C)(C)C	2949.6	Standard polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C(C)(C)C	2141.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C(C)(C)C	1842.3	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCC(=O)O[Si](C)(C)C(C)(C)C	2946.1	Standard polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C(C)(C)C	2328.3	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C(C)(C)C	2006.6	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=N)NCCC(=O)O)[Si](C)(C)C(C)(C)C	2718.9	Standard polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C(C)(C)C	2291.5	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C(C)(C)C	1840.0	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O)N[Si](C)(C)C(C)(C)C	2720.1	Standard polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2302.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2023.0	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2738.4	Standard polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2185.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	1922.6	Standard non polar	33892256
Beta-Guanidinopropionic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2869.6	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2528.1	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2275.2	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2625.6	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2460.6	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	1997.0	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2654.6	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2502.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2270.7	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2659.4	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2394.4	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2088.2	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2901.8	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2478.5	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2175.1	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2565.6	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2487.6	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2372.4	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2614.9	Standard polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2447.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2104.5	Standard non polar	33892256
Beta-Guanidinopropionic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC(=O)O)[Si](C)(C)C(C)(C)C	2572.5	Standard polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2710.4	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2584.4	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2575.8	Standard polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2670.5	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2327.6	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2542.7	Standard polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2620.4	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2270.7	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2550.9	Standard polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2693.0	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2487.6	Standard non polar	33892256
Beta-Guanidinopropionic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N(CCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2448.7	Standard polar	33892256
Beta-Guanidinopropionic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2895.7	Semi standard non polar	33892256
Beta-Guanidinopropionic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2662.3	Standard non polar	33892256
Beta-Guanidinopropionic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2428.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Guanidinopropionic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0076-9100000000-351fe5459bc2aa982f1d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Guanidinopropionic acid GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9700000000-8fa57b59d32757572966	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Guanidinopropionic acid 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QTOF , negative-QTOF	splash10-000i-9000000000-4458e96907418a84d54b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QQ , positive-QTOF	splash10-001i-0900000000-555c4102f4a65d8aed9b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QQ , positive-QTOF	splash10-00di-9400000000-202f65d00956e051d5b0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QQ , positive-QTOF	splash10-00di-9000000000-2ba68363493ccaf36ede	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QQ , positive-QTOF	splash10-05fr-9000000000-245d3980a77046e1db8d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QQ , positive-QTOF	splash10-052f-9000000000-4659c75c5d7116058d41	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid LC-ESI-QTOF , positive-QTOF	splash10-0089-6900000000-23e0505168600ceb154d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinopropionic acid 35V, Positive-QTOF	splash10-03k9-9000000000-04ea2687312454f3f43b	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 10V, Positive-QTOF	splash10-03di-2900000000-d05e3c3a923d5ffaf398	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 20V, Positive-QTOF	splash10-03k9-9200000000-6b780b0080ec3851a2a1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 40V, Positive-QTOF	splash10-03fu-9000000000-585f46f520a38f066ad0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 10V, Negative-QTOF	splash10-001r-9600000000-e7ba0696feae67ecd2c1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 20V, Negative-QTOF	splash10-059l-9000000000-1ad5c9a7f49f2b5eab63	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 40V, Negative-QTOF	splash10-0006-9000000000-28676e3aacf9b4d8ea55	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 10V, Negative-QTOF	splash10-000i-9000000000-d58857401b43d8ccc8b5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 20V, Negative-QTOF	splash10-006x-9000000000-5900927063e733df75f2	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 40V, Negative-QTOF	splash10-0006-9000000000-1c8520c5f7efb1187e43	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 10V, Positive-QTOF	splash10-02tc-7900000000-23251cef83c81d03c926	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 20V, Positive-QTOF	splash10-00di-9000000000-9b84fcc1808b7ece8370	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinopropionic acid 40V, Positive-QTOF	splash10-0006-9000000000-dd976c4f7e1faaec59fd	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

Not Available

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	<0.0252 uM	Adult (>18 years old)	Both	Normal	12675874	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Urine	Detected and Quantified	13.71 (6.38-69.84) umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	Analysis of 40 NI...	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.220 +/- 0.140 uM	Adult (>18 years old)	Both	Uremia	12675874	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

Uremia

Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]

Associated OMIM IDs

None

External Links

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

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1190271

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

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 Guanidinopropionic acid (HMDB0013222)

MOL for HMDB0013222 (Guanidinopropionic acid)

3D MOL for HMDB0013222 (Guanidinopropionic acid)

3D SDF for HMDB0013222 (Guanidinopropionic acid)

3D-SDF for HMDB0013222 (Guanidinopropionic acid)

PDB for HMDB0013222 (Guanidinopropionic acid)

3D PDB for HMDB0013222 (Guanidinopropionic acid)

SMILES for HMDB0013222 (Guanidinopropionic acid)

INCHI for HMDB0013222 (Guanidinopropionic acid)

Structure for HMDB0013222 (Guanidinopropionic acid)

3D Structure for HMDB0013222 (Guanidinopropionic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra