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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-10-29 15:21:19 UTC

Update Date

2021-09-14 15:47:21 UTC

HMDB ID

HMDB0011173

Secondary Accession Numbers

HMDB0028842
HMDB11173
HMDB28842

Metabolite Identification

Common Name

Glycylhydroxyproline

Description

Glycylhydroxyproline is likely a proteolytic breakdown product of collagen. It belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411 ).

Structure

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


  Mrv1652307191923482D          

 13 13  0  0  0  0            999 V2000
10002.1009 9999.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8128 9999.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.100910000.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8095 9997.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7175 9999.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.0502 9999.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3051 9998.4306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.1301 9998.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3850 9999.2152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.717510000.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.003110000.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.432010000.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.003110001.7627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  4  1  1  0  0  0
  9  1  1  6  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011173

> <DATABASE_NAME>
hmdb

> <SMILES>
NCC(=O)N1C[C@H](O)C[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5+/m1/s1

> <INCHI_KEY>
ZJQXGJBINIMBOY-UHNVWZDZSA-N

> <FORMULA>
C7H12N2O4

> <MOLECULAR_WEIGHT>
188.183

> <EXACT_MASS>
188.079706874

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.66855980112019

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-3.14

> <JCHEM_LOGP>
-4.824028235282131

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.826431115099673

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.42466450326045

> <JCHEM_PKA_STRONGEST_BASIC>
8.132340416345464

> <JCHEM_POLAR_SURFACE_AREA>
103.86

> <JCHEM_REFRACTIVITY>
42.3078

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.25e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-JUL-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUL-19         0                                  
HETATM    1  C   UNK     0    8670.5888665.953   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8671.9178665.183   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.5888667.490   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8666.3118662.504   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0    8668.0068666.107   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0    8666.7608665.202   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8667.2368663.737   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8668.7768663.737   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8669.2528665.202   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8668.0068667.647   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8666.6728668.417   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    8669.3408668.417   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0    8666.6728669.957   0.000  0.00  0.00           N+0
CONECT    1    2    3    9                                                  
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    7                                                            
CONECT    5    6    9   10                                                  
CONECT    6    7    5                                                       
CONECT    7    6    8    4                                                  
CONECT    8    7    9                                                       
CONECT    9    8    5    1                                                  
CONECT   10    5   11   12                                                  
CONECT   11   10   13                                                       
CONECT   12   10                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Glycyl-L-hydroxyproline	HMDB
Glycyl-hydroxyproline	HMDB
Glycylhydroxy-L-proline	HMDB
Gly-hyp	HMDB
Gly-L-hyp	HMDB
Glycine hydroxyproline dipeptide	HMDB
Glycine-hydroxyproline dipeptide	HMDB
Glycylhydroxyproline	HMDB
(2S,4R)-1-(2-Aminoacetyl)-4-hydroxypyrrolidine-2-carboxylate	Generator

Chemical Formula

C₇H₁₂N₂O₄

Average Molecular Weight

188.183

Monoisotopic Molecular Weight

188.079706874

IUPAC Name

(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

Traditional Name

(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

CAS Registry Number

24587-32-4

SMILES

NCC(=O)N1C[C@H](O)C[C@H]1C(O)=O

InChI Identifier

InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5+/m1/s1

InChI Key

ZJQXGJBINIMBOY-UHNVWZDZSA-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
Proline or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
N-acylpyrrolidine
Pyrrolidine
Quaternary ammonium salt
Tertiary carboxylic acid amide
Secondary alcohol
Carboxylic acid salt
Carboxamide group
Amino acid
Amino acid or derivatives
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic salt
Organic oxygen compound
Organic nitrogen compound
Primary aliphatic amine
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organic zwitterion
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

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	325 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4.8	ChemAxon
logS	0.24	ALOGPS
pKa (Strongest Acidic)	3.42	ChemAxon
pKa (Strongest Basic)	8.13	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	103.86 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	42.31 m³·mol⁻¹	ChemAxon
Polarizability	17.67 Å³	ChemAxon
Number of Rings	1	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
DeepCCS	[M+H]+	137.172	30932474
DeepCCS	[M-H]-	134.777	30932474
DeepCCS	[M-2H]-	169.345	30932474
DeepCCS	[M+Na]+	144.115	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycylhydroxyproline	NCC(=O)N1C[C@H](O)C[C@H]1C(O)=O	2657.7	Standard polar	33892256
Glycylhydroxyproline	NCC(=O)N1C[C@H](O)C[C@H]1C(O)=O	1972.9	Standard non polar	33892256
Glycylhydroxyproline	NCC(=O)N1C[C@H](O)C[C@H]1C(O)=O	2061.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycylhydroxyproline,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN)C1	1852.6	Semi standard non polar	33892256
Glycylhydroxyproline,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN	1794.1	Semi standard non polar	33892256
Glycylhydroxyproline,1TMS,isomer #3	C[Si](C)(C)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)O	1912.0	Semi standard non polar	33892256
Glycylhydroxyproline,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)CN	1876.3	Semi standard non polar	33892256
Glycylhydroxyproline,2TMS,isomer #2	C[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O	1932.7	Semi standard non polar	33892256
Glycylhydroxyproline,2TMS,isomer #3	C[Si](C)(C)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C	1920.5	Semi standard non polar	33892256
Glycylhydroxyproline,2TMS,isomer #4	C[Si](C)(C)N(CC(=O)N1C[C@H](O)C[C@H]1C(=O)O)[Si](C)(C)C	2035.9	Semi standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #1	C[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C	1939.5	Semi standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #1	C[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C	2027.3	Standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #1	C[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C	2419.3	Standard polar	33892256
Glycylhydroxyproline,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C1	2094.7	Semi standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C1	2143.5	Standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C1	2566.3	Standard polar	33892256
Glycylhydroxyproline,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2072.3	Semi standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2084.2	Standard non polar	33892256
Glycylhydroxyproline,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2428.0	Standard polar	33892256
Glycylhydroxyproline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2145.7	Semi standard non polar	33892256
Glycylhydroxyproline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2149.2	Standard non polar	33892256
Glycylhydroxyproline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2240.2	Standard polar	33892256
Glycylhydroxyproline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN)C1	2081.5	Semi standard non polar	33892256
Glycylhydroxyproline,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN	2037.5	Semi standard non polar	33892256
Glycylhydroxyproline,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)O	2134.6	Semi standard non polar	33892256
Glycylhydroxyproline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)CN	2314.2	Semi standard non polar	33892256
Glycylhydroxyproline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O	2360.1	Semi standard non polar	33892256
Glycylhydroxyproline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2344.0	Semi standard non polar	33892256
Glycylhydroxyproline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CC(=O)N1C[C@H](O)C[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	2438.3	Semi standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2608.4	Semi standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2648.2	Standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2690.6	Standard polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	2731.7	Semi standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	2757.6	Standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	2768.6	Standard polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2684.5	Semi standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2716.6	Standard non polar	33892256
Glycylhydroxyproline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2683.2	Standard polar	33892256
Glycylhydroxyproline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2953.8	Semi standard non polar	33892256
Glycylhydroxyproline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2911.5	Standard non polar	33892256
Glycylhydroxyproline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2649.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylhydroxyproline 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 - Glycylhydroxyproline 10V, Negative-QTOF	splash10-03dr-0900000000-6b36e9139e7a32042409	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylhydroxyproline 20V, Negative-QTOF	splash10-03di-0900000000-712648cff759111d2a71	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylhydroxyproline 40V, Negative-QTOF	splash10-0006-9100000000-140fde8ed29ee7d53d49	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylhydroxyproline 10V, Positive-QTOF	splash10-01qi-0900000000-29a65393fcc1abf1faba	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylhydroxyproline 20V, Positive-QTOF	splash10-03di-1900000000-bf9e3d841c4242fee95f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylhydroxyproline 40V, Positive-QTOF	splash10-01p9-9200000000-1651e3d4f6bf54f862ef	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB027945

KNApSAcK ID

Not Available

Chemspider ID

10036564

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11862107

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

Jandke J, Spiteller G: Dipeptide analysis in human urine. J Chromatogr. 1986 Oct 31;382:39-45. [PubMed:3782411 ]
Lowry M, Hall DE, Brosnan JT: Metabolism of glycine- and hydroxyproline-containing peptides by the isolated perfused rat kidney. Biochem J. 1985 Jul 15;229(2):545-9. [PubMed:4038280 ]

Showing metabocard for Glycylhydroxyproline (HMDB0011173)

MOL for HMDB0011173 (Glycylhydroxyproline)

3D MOL for HMDB0011173 (Glycylhydroxyproline)

3D SDF for HMDB0011173 (Glycylhydroxyproline)

3D-SDF for HMDB0011173 (Glycylhydroxyproline)

PDB for HMDB0011173 (Glycylhydroxyproline)

3D PDB for HMDB0011173 (Glycylhydroxyproline)

SMILES for HMDB0011173 (Glycylhydroxyproline)

INCHI for HMDB0011173 (Glycylhydroxyproline)

Structure for HMDB0011173 (Glycylhydroxyproline)

3D Structure for HMDB0011173 (Glycylhydroxyproline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra