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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-08-01 02:19:48 UTC

Update Date

2022-03-07 03:18:01 UTC

HMDB ID

HMDB0094702

Secondary Accession Numbers

HMDB94702

Metabolite Identification

Common Name

Gly-Norvaline

Description

Gly-Norvaline, also known as Glycyl-DL-norvaline or Gly-DL-norvaline, is classified as a member of the dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Gly-Norvaline is considered to be slightly soluble (in water) and acidic. (ChemoSummarizer)

Structure

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

HEADER    PROTEIN                                 01-AUG-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-AUG-17         0                                  
HETATM    1  C   UNK     0       0.976  -0.976   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310  -0.206   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.977   5.954   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.977   4.414   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       3.644   6.724   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       6.311   3.644   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    5                                                       
CONECT    4    6    8                                                       
CONECT    5    3    7    9                                                  
CONECT    6    4    9   10                                                  
CONECT    7    5   11   12                                                  
CONECT    8    4                                                            
CONECT    9    5    6                                                       
CONECT   10    6                                                            
CONECT   11    7                                                            
CONECT   12    7                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Gly-DL-norvaline	HMDB

Chemical Formula

C₇H₁₄N₂O₃

Average Molecular Weight

174.2

Monoisotopic Molecular Weight

174.100442319

IUPAC Name

2-[(2-amino-1-hydroxyethylidene)amino]pentanoic acid

Traditional Name

2-[(2-amino-1-hydroxyethylidene)amino]pentanoic acid

CAS Registry Number

Not Available

SMILES

CCCC(N=C(O)CN)C(O)=O

InChI Identifier

InChI=1S/C7H14N2O3/c1-2-3-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)

InChI Key

JXIQKLAZYWZTRA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Branched fatty acid
Methyl-branched fatty acid
Fatty acyl
Fatty acid
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0094702)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	-2.4	ALOGPS
logP	-2.4	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	9.33	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	95.91 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	42.95 m³·mol⁻¹	ChemAxon
Polarizability	17.92 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]+	141.351	31661259
DarkChem	[M-H]-	136.054	31661259
DeepCCS	[M+H]+	135.043	30932474
DeepCCS	[M-H]-	131.219	30932474
DeepCCS	[M-2H]-	168.556	30932474
DeepCCS	[M+Na]+	143.917	30932474
AllCCS	[M+H]+	140.7	32859911
AllCCS	[M+H-H2O]+	136.9	32859911
AllCCS	[M+NH4]+	144.3	32859911
AllCCS	[M+Na]+	145.3	32859911
AllCCS	[M-H]-	136.5	32859911
AllCCS	[M+Na-2H]-	138.1	32859911
AllCCS	[M+HCOO]-	139.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gly-Norvaline	CCCC(N=C(O)CN)C(O)=O	2385.4	Standard polar	33892256
Gly-Norvaline	CCCC(N=C(O)CN)C(O)=O	1618.2	Standard non polar	33892256
Gly-Norvaline	CCCC(N=C(O)CN)C(O)=O	1697.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gly-Norvaline,1TMS,isomer #1	CCCC(N=C(CN)O[Si](C)(C)C)C(=O)O	1644.0	Semi standard non polar	33892256
Gly-Norvaline,1TMS,isomer #2	CCCC(N=C(O)CN)C(=O)O[Si](C)(C)C	1627.4	Semi standard non polar	33892256
Gly-Norvaline,1TMS,isomer #3	CCCC(N=C(O)CN[Si](C)(C)C)C(=O)O	1737.7	Semi standard non polar	33892256
Gly-Norvaline,2TMS,isomer #1	CCCC(N=C(CN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1679.6	Semi standard non polar	33892256
Gly-Norvaline,2TMS,isomer #2	CCCC(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	1739.8	Semi standard non polar	33892256
Gly-Norvaline,2TMS,isomer #3	CCCC(N=C(O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C	1743.2	Semi standard non polar	33892256
Gly-Norvaline,2TMS,isomer #4	CCCC(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1885.6	Semi standard non polar	33892256
Gly-Norvaline,3TMS,isomer #1	CCCC(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1757.2	Semi standard non polar	33892256
Gly-Norvaline,3TMS,isomer #1	CCCC(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1744.3	Standard non polar	33892256
Gly-Norvaline,3TMS,isomer #1	CCCC(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2018.9	Standard polar	33892256
Gly-Norvaline,3TMS,isomer #2	CCCC(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	1930.7	Semi standard non polar	33892256
Gly-Norvaline,3TMS,isomer #2	CCCC(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	1832.4	Standard non polar	33892256
Gly-Norvaline,3TMS,isomer #2	CCCC(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2253.1	Standard polar	33892256
Gly-Norvaline,3TMS,isomer #3	CCCC(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1903.8	Semi standard non polar	33892256
Gly-Norvaline,3TMS,isomer #3	CCCC(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1828.8	Standard non polar	33892256
Gly-Norvaline,3TMS,isomer #3	CCCC(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2191.6	Standard polar	33892256
Gly-Norvaline,4TMS,isomer #1	CCCC(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1963.8	Semi standard non polar	33892256
Gly-Norvaline,4TMS,isomer #1	CCCC(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1859.3	Standard non polar	33892256
Gly-Norvaline,4TMS,isomer #1	CCCC(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1910.4	Standard polar	33892256
Gly-Norvaline,1TBDMS,isomer #1	CCCC(N=C(CN)O[Si](C)(C)C(C)(C)C)C(=O)O	1883.0	Semi standard non polar	33892256
Gly-Norvaline,1TBDMS,isomer #2	CCCC(N=C(O)CN)C(=O)O[Si](C)(C)C(C)(C)C	1859.1	Semi standard non polar	33892256
Gly-Norvaline,1TBDMS,isomer #3	CCCC(N=C(O)CN[Si](C)(C)C(C)(C)C)C(=O)O	1954.9	Semi standard non polar	33892256
Gly-Norvaline,2TBDMS,isomer #1	CCCC(N=C(CN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2091.0	Semi standard non polar	33892256
Gly-Norvaline,2TBDMS,isomer #2	CCCC(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2163.6	Semi standard non polar	33892256
Gly-Norvaline,2TBDMS,isomer #3	CCCC(N=C(O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2173.5	Semi standard non polar	33892256
Gly-Norvaline,2TBDMS,isomer #4	CCCC(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2256.4	Semi standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #1	CCCC(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2338.6	Semi standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #1	CCCC(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2270.8	Standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #1	CCCC(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2351.2	Standard polar	33892256
Gly-Norvaline,3TBDMS,isomer #2	CCCC(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2545.8	Semi standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #2	CCCC(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2341.1	Standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #2	CCCC(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2491.7	Standard polar	33892256
Gly-Norvaline,3TBDMS,isomer #3	CCCC(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2506.1	Semi standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #3	CCCC(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2412.9	Standard non polar	33892256
Gly-Norvaline,3TBDMS,isomer #3	CCCC(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2476.7	Standard polar	33892256
Gly-Norvaline,4TBDMS,isomer #1	CCCC(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2764.0	Semi standard non polar	33892256
Gly-Norvaline,4TBDMS,isomer #1	CCCC(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2562.1	Standard non polar	33892256
Gly-Norvaline,4TBDMS,isomer #1	CCCC(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2362.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Gly-Norvaline GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9100000000-5edf86298d8aafd6ad04	2017-09-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gly-Norvaline GC-MS (2 TMS) - 70eV, Positive	splash10-001i-9120000000-c81b51ee7cfc9f59a7c2	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gly-Norvaline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gly-Norvaline 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 - Gly-Norvaline 10V, Negative-QTOF	splash10-00di-0900000000-2157e387f4c3da655d96	2017-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 20V, Negative-QTOF	splash10-05i0-4900000000-52949c4757d5e8e0bf09	2017-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 40V, Negative-QTOF	splash10-00dl-9100000000-24b5e593eb37be4b04cf	2017-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 10V, Negative-QTOF	splash10-03xr-0900000000-390a99f7febb06c35794	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 20V, Negative-QTOF	splash10-0a4i-9500000000-b3624978c2069938e000	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 40V, Negative-QTOF	splash10-0006-9100000000-4514d0777a0c88c66df0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 10V, Positive-QTOF	splash10-004i-3900000000-f4dcd707686eb19a41d4	2017-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 20V, Positive-QTOF	splash10-0089-9400000000-cbe5f93799e1c2a848aa	2017-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 40V, Positive-QTOF	splash10-00ec-9000000000-ca88d925a8ae23ae8442	2017-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 10V, Positive-QTOF	splash10-00or-1900000000-cbf3c67d0d9e8b6c7e62	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 20V, Positive-QTOF	splash10-00di-9100000000-dcaa45d7b1d75af94fb9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gly-Norvaline 40V, Positive-QTOF	splash10-0ab9-9000000000-4bf4529bd29c4d05e790	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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78338

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

86841

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Gly-Norvaline (HMDB0094702)

MOL for HMDB0094702 (Gly-Norvaline)

3D MOL for HMDB0094702 (Gly-Norvaline)

3D SDF for HMDB0094702 (Gly-Norvaline)

3D-SDF for HMDB0094702 (Gly-Norvaline)

PDB for HMDB0094702 (Gly-Norvaline)

3D PDB for HMDB0094702 (Gly-Norvaline)

SMILES for HMDB0094702 (Gly-Norvaline)

INCHI for HMDB0094702 (Gly-Norvaline)

Structure for HMDB0094702 (Gly-Norvaline)

3D Structure for HMDB0094702 (Gly-Norvaline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra