MiMeDB: Showing metabocard for 5-Methylthioribulose 1-phosphate (MMDBc0032926)

Microbial

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:27:38 UTC

Update Date

2024-04-30 19:55:05 UTC

Metabolite ID

MMDBc0032926

Metabolite Identification

Common Name

5-Methylthioribulose 1-phosphate

Description

5-Methylthioribulose 1-phosphate is an intermediate in the methionine salvage pathway. It is a microbial metabolite produced by gut microbes during methionine generation from methylthioadenosine. The first step is the phosphorolysis of methylthioadenosine to 5-methylthioribose-1-phosphate and adenine by the enzyme 5-deoxy- 5-methylthioadenosine phosphorylase (methylthioadenosine phosphorylase); 5-methylthioribose-1-phosphate is then converted to 5-methylthioribulose-1-phosphate (PMID: 6725268 ). 5-Deoxy-5-methylthioadenosine (methylthioadenosine) is a metabolite of S-adenosyl-L-methionine formed during the synthesis of the polyamines, spermidine and spermine.

Structure

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


  Mrv1652307172020202D          

 15 14  0  0  0  0            999 V2000
 9988.4110 9988.2438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9987.6973 9987.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.1261 9987.8320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9988.4110 9989.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9986.9829 9988.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.6973 9987.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9989.8414 9988.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.1261 9987.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9986.2684 9987.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.5544 9987.8320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 9985.5540 9988.2438    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9991.2697 9988.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9985.9653 9988.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9984.8355 9987.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9985.1405 9988.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032926

> <DATABASE_NAME>
MIME

> <SMILES>
CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1

> <INCHI_KEY>
CNSJRYUMVMWNMC-RITPCOANSA-N

> <FORMULA>
C6H13O7PS

> <MOLECULAR_WEIGHT>
260.202

> <EXACT_MASS>
260.011959972

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
22.58689642828518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-2-oxopentyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.43

> <JCHEM_LOGP>
-1.2777918353333326

> <ALOGPS_LOGS>
-1.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.208835718373348

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1787298662051935

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3648057294312927

> <JCHEM_POLAR_SURFACE_AREA>
124.29000000000002

> <JCHEM_REFRACTIVITY>
53.305800000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylthioribulose-1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUL-20         0                                  
HETATM    1  C   UNK     0    8645.0348644.722   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8643.7028643.953   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8646.3698643.953   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8645.0348646.261   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8642.3688644.722   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8643.7028642.413   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8647.7048644.722   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8646.3698642.413   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8641.0348643.953   0.000  0.00  0.00           O+0
HETATM   10  S   UNK     0    8649.0358643.953   0.000  0.00  0.00           S+0
HETATM   11  P   UNK     0    8639.7018644.722   0.000  0.00  0.00           P+0
HETATM   12  C   UNK     0    8650.3708644.722   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8640.4698646.057   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8638.3608643.949   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8638.9298646.057   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1                                                            
CONECT    5    2    9                                                       
CONECT    6    2                                                            
CONECT    7    3   10                                                       
CONECT    8    3                                                            
CONECT    9    5   11                                                       
CONECT   10    7   12                                                       
CONECT   11    9   13   14   15                                             
CONECT   12   10                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15   11                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END

COMPND    HMDB0001299
HETATM    1  C1  UNL     1       4.419   0.552   1.587  1.00  0.00           C  
HETATM    2  S1  UNL     1       2.790  -0.010   1.050  1.00  0.00           S  
HETATM    3  C2  UNL     1       2.590   0.195  -0.729  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.256  -0.262  -1.194  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.974  -1.585  -0.913  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.160   0.689  -0.871  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.941   0.300  -1.682  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.317   0.703   0.519  1.00  0.00           C  
HETATM    9  O3  UNL     1       0.394   1.197   1.419  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.639   0.132   0.870  1.00  0.00           C  
HETATM   11  O4  UNL     1      -2.245  -0.367  -0.242  1.00  0.00           O  
HETATM   12  P1  UNL     1      -3.746  -1.041   0.019  1.00  0.00           P  
HETATM   13  O5  UNL     1      -3.641  -2.524   0.282  1.00  0.00           O  
HETATM   14  O6  UNL     1      -4.666  -0.849  -1.404  1.00  0.00           O  
HETATM   15  O7  UNL     1      -4.530  -0.262   1.289  1.00  0.00           O  
HETATM   16  H1  UNL     1       4.981   0.996   0.725  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.362   1.358   2.356  1.00  0.00           H  
HETATM   18  H3  UNL     1       5.015  -0.295   1.972  1.00  0.00           H  
HETATM   19  H4  UNL     1       3.421  -0.379  -1.209  1.00  0.00           H  
HETATM   20  H5  UNL     1       2.769   1.288  -0.964  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.289  -0.217  -2.370  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.183  -1.680  -0.337  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.421   1.721  -1.224  1.00  0.00           H  
HETATM   24  H9  UNL     1      -0.761  -0.611  -2.010  1.00  0.00           H  
HETATM   25  H10 UNL     1      -2.261   0.868   1.430  1.00  0.00           H  
HETATM   26  H11 UNL     1      -1.462  -0.686   1.635  1.00  0.00           H  
HETATM   27  H12 UNL     1      -4.519   0.067  -1.769  1.00  0.00           H  
HETATM   28  H13 UNL     1      -4.297   0.702   1.319  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4   19   20
CONECT    4    5    6   21
CONECT    5   22
CONECT    6    7    8   23
CONECT    7   24
CONECT    8    9    9   10
CONECT   10   11   25   26
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   27
CONECT   15   28
END

Synonyms

Value	Source
5-S-Methyl-1-O-phosphono-5-thio-D-ribulose	ChEBI
5-(Methylsulfanyl)-D-ribulose 1-phosphate	Kegg
5-(Methylsulfanyl)-D-ribulose 1-phosphoric acid	Generator
5-(Methylsulphanyl)-D-ribulose 1-phosphate	Generator
5-(Methylsulphanyl)-D-ribulose 1-phosphoric acid	Generator
5-Methylthioribulose 1-phosphoric acid	Generator
1-Phospho-5-S-methylthioribulose	HMDB
1-Phosphomethylthioribulose	HMDB
1PMT-Ribulose	HMDB
5-Methylthio-2-ribulose-1-phosphate	HMDB
5-Methylthio-5-deoxy-D-ribulose 1-phosphate	HMDB
5-Methylthio-5-deoxy-D-ribulose-1-phosphate	HMDB
5-Methylthioribulose-1-phosphate	HMDB
5-S-Methyl-5-thio-D-erythro-pent-2-ulose 1-(dihydrogen phosphate)	HMDB
5-S-Methyl-5-thio-D-ribulose 1-(dihydrogen phosphate)	HMDB
Methylthioribulose-1-phosphate	HMDB
MTRu-1-p	HMDB
S-Methyl-5-thio-D-ribulose 1-phosphate	HMDB
1-PMT-Ribulose	HMDB
Methylthioribulose 1-phosphate	HMDB
5-(Methylthio)ribulose 1-phosphate	HMDB

Molecular Formula

C₆H₁₃O₇PS

Average Mass

260.202

Monoisotopic Mass

260.011959972

IUPAC Name

{[(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-2-oxopentyl]oxy}phosphonic acid

Traditional Name

methylthioribulose-1-phosphate

CAS Registry Number

86316-83-8

SMILES

CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O

InChI Identifier

InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1

InChI Key

CNSJRYUMVMWNMC-RITPCOANSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycerone phosphates. These are organic compounds containing a glycerone moiety that carries a phosphate group at the O-1 or O-2 position.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Glycerone phosphates

Alternative Parents

Substituents

Glycerone phosphate
Monoalkyl phosphate
Acyloin
Beta-hydroxy ketone
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Alpha-hydroxy ketone
Secondary alcohol
1,2-diol
Thioether
Sulfenyl compound
Dialkylthioether
Organosulfur compound
Alcohol
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

deoxyribulose phosphate (CHEBI:28096 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	19.3 g/L	ALOGPS
logP	-0.43	ALOGPS
logP	-1.3	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.18	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	124.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	53.31 m³·mol⁻¹	ChemAxon
Polarizability	22.59 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	splash10-01w1-9710000000-da3fc8534da2cd8957f4	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-03di-7973000000-51639c96fd3e70d14bf8	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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dl-3590000000-48a371cabc865281cedb	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01pc-3920000000-0f483ba04442297b4622	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000g-9300000000-6e02d97a8ab3c704f801	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9310000000-4f7b1426b6d9f8a88ffa	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004j-9100000000-1e987229b4853fb45072	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-fe6a484561738ead9cd1	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-1590000000-1113571c4892aa6f836e	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03ka-9400000000-da5dcbcf9b27c541867d	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-fec7f320592a6e9bc867	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4r-3490000000-1b9248527c15132ff9ee	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004j-9000000000-f420c16db721baadbf7c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-06c27ade5d32e8e9acda	2021-09-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	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	469.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	414.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	64.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	322.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	270.6
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	300.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	643.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	771.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	749.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	158.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	410.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	171.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	33.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	401.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	658.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	49.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	180.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	726.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	664.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_1	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O	standard non polar	2025-10-24	2487.51
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_2	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O	standard non polar	2025-10-24	2300.41
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_3	CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1939.16
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_4	CSC[C@@H](O)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1899.28
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_5	CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1744.44
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_6	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O	standard non polar	2025-10-24	1468.38
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_7	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1157.77
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_8	CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1792.28
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_9	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1550.18
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_10	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1352.18
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_11	CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2298.51
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_12	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1942.16
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_13	CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1463.41
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_14	CSC[C@@H](O)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1905.82
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_15	CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1719.02
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_16	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1787.67
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_17	CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1208.32
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_18	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1708.57
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_19	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2755.48
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_20	CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2247.81
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_21	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2163.12
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_22	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2059.04
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_23	CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1706.36
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_24	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1755.54
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_25	CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2776.49
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_26	CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1545.77
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_27	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1569.81
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_28	CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1711.98
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_29	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2170.7
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_30	CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2234.69
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_31	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2197.8
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_32	CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1499.15
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_33	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1983.5
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_34	CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3084.15
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_35	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3202.66
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_1	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O	standard polar	2025-10-24	2077.34
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_2	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O	standard polar	2025-10-24	2176.99
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_3	CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2187.45
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_4	CSC[C@@H](O)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2730.98
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_5	CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1960.1
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_6	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O	standard polar	2025-10-24	2070.67
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_7	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2325.95
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_8	CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2337.24
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_9	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2313.03
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_10	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2387.95
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_11	CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1718.22
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_12	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2510.48
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_13	CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2176.5
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_14	CSC[C@@H](O)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2099.15
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_15	CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2128.15
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_16	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2621.42
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_17	CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2005.83
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_18	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2104.0
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_19	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1912.86
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_20	CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1545.31
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_21	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1202.57
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_22	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2772.87
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_23	CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2601.28
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_24	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1734.28
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_25	CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2116.07
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_26	CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2027.97
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_27	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1750.65
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_28	CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2688.22
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_29	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2257.3
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_30	CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1372.56
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_31	CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1920.98
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_32	CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1427.66
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_33	CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1548.78
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_34	CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3366.64
Gas Chromatography	5-Methylthioribulose 1-phosphate_TMS_35	CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2163.88

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

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
MMDBp0196894	Methylthioribose-1-phosphate isomerase	Unknown	Q9BV20
MMDBp0196895	Methylthioribulose-1-phosphate dehydratase	Unknown	Q96GX9

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Methionine salvage pathway		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Mycobacterium tuberculosis Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Clostridium perfringens Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acidaminococcus fermentans DSM 20731 Bacillus cereus AH187 (F4810/72) Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Bacteroides ovatus Bacteroides xylanisolvens XB1A Blautia obeum A2-162 Blautia obeum ATCC 29174 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Coprococcus catus GD/7 Eubacterium rectale ATCC 33656 Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Megamonas hypermegale Ochrobactrum anthropi ATCC 49188 Odoribacter splanchnicus DSM 20712 Roseburia hominis A2-183 Thermus thermophilus Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Neisseria flavescens Neisseria mucosa Acidiphilium cryptum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Fusobacterium ulcerans Syntrophomonas wolfei Acidithiobacillus ferrooxidans Rhodopseudomonas palustris Ruminococcus albus Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Actinomyces viscosus Xylella fastidiosa Roseobacter denitrificans Neisseria subflava Caldicellulosiruptor bescii Enterococcus avium Eubacterium ramulus Sulfurimonas denitrificans Veillonella atypica Veillonella dispar Stenotrophomonas maltophilia Leptotrichia buccalis Actinosynnema mirum Caldicellulosiruptor saccharolyticus Mitsuokella multacida Brachyspira pilosicoli Blautia hydrogenotrophica Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Bacillus clausii Bacillus pseudofirmus Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Syntrophobacter fumaroxidans Citrobacter youngae Burkholderia ambifaria Ilyobacter polytropus Anaerotruncus colihominis Alicycliphilus denitrificans Shewanella denitrificans Escherichia albertii Bacteroides plebeius Actinomyces oris Bacteroides faecis Bacteroides xylanisolvens Blautia obeum Clostridium beijerinckii Klebsiella variicola Odoribacter splanchnicus Veillonella parvula Achromobacter xylosoxidans A8 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium sticklandii DSM 519 Clostridium perfringens SM101 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Leptotrichia buccalis C-1013-b Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Escherichia coli 042 Edwardsiella tarda FL6-60 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Aquifex aeolicus Bacteroides ovatus ATCC 8483 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D22 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Fusobacterium nucleatum subsp. vincentii 4_1_13 Thermodesulfovibrio yellowstonii Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Parasutterella excrementihominis YIT 11859 Kingella oralis Kingella oralis ATCC 51147 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Succinivibrio dextrinosolvens Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Actinobacillus pleuropneumoniae Haemophilus sputorum Grimontia hollisae CIP 101886 Vibrio mimicus Brachyspira pilosicoli B2904 Leptospira interrogans Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces viscosus C505 Streptomyces avermitilis Olsenella profusa F0195 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Exiguobacterium aurantiacum Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium sartagoforme AAU1 Eubacterium ramulus ATCC 29099 [Eubacterium] cellulosolvens 6 Pseudoramibacter alactolyticus ATCC 23263 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 [Ruminococcus] gnavus ATCC 29149 Roseburia inulinivorans DSM 16841 Anaerotruncus colihominis DSM 17241 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Ruminococcus callidus ATCC 27760 [Clostridium] leptum DSM 753 [Eubacterium] siraeum DSM 15702 [Clostridium] innocuum 2959 Solobacterium moorei F0204 Phascolarctobacterium succinatutens YIT 12067 Mitsuokella multacida DSM 20544 Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Megasphaera elsdenii Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 Peptoniphilus indolicus ATCC 29427 Streptomyces coelicolor A3(2) Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Bacillus selenitireducens MLS10 Butyrivibrio proteoclasticus B316 Caldicellulosiruptor bescii DSM 6725 Candidatus Desulforudis audaxviator MP104C Carboxydothermus hydrogenoformans Z-2901 Clostridium tetani E88 Clostridium thermocellum ATCC 27405 Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Clostridium cellulolyticum H10 Desulfotomaculum reducens MI-1 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Kribbella flavida DSM 17836 Meiothermus ruber DSM 1279 Mycobacterium bovis AF2122/97 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium canettii CIPT 140010059 Natranaerobius thermophilus JW/NM-WN-LF Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Oceanobacillus iheyensis HTE831 Caldicellulosiruptor saccharolyticus DSM 8903 Bacillus tusciae DSM 2912 Pseudonocardia dioxanivorans CB1190 Saccharomonospora viridis DSM 43017 Sphaerobacter thermophilus DSM 20745 Stackebrandtia nassauensis DSM 44728 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus nidulans FGSC A4 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium oxalicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Aquifex aeolicus VF5 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Brachyspira hyodysenteriae WA1 Brachyspira murdochii DSM 12563 Brachyspira pilosicoli 95/1000 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Candidatus Koribacter versatilis Ellin345 Clostridium lentocellum DSM 5427 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Geobacter sp. FRC-32 Gluconacetobacter diazotrophicus PAl 5 Gluconobacter oxydans 621H Granulibacter bethesdensis CGDNIH1 Haemophilus parasuis SH0165 Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Heliobacterium modesticaldum Ice1 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hydrogenobacter thermophilus TK-6 Ilyobacter polytropus DSM 2926 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Kosmotoga olearia TBF 19.5.1 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methylibium petroleiphilum PM1 Microbacterium testaceum StLB037 Microcystis aeruginosa NIES-843 Nitratiruptor sp. SB155-2 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nostoc sp. PCC 7120 Xanthomonas axonopodis pv. citri str. 306 Leptospira interrogans serovar Lai str. 56601 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Thermus thermophilus HB27 Sodalis glossinidius str. 'morsitans' Syntrophomonas wolfei subsp. wolfei str. Goettingen Sorangium cellulosum 'So ce 56' Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)' Thermodesulfovibrio yellowstonii DSM 11347 Thermanaerovibrio acidaminovorans DSM 6589 Thermus scotoductus SA-01 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Parvibaculum lavamentivorans DS-1 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Persephonella marina EX-H1 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Pirellula staleyi DSM 6068 Polaromonas naphthalenivorans CJ2 Prochlorococcus marinus str. MIT 9313 Prochlorococcus marinus str. MIT 9303 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopseudomonas palustris CGA009 Rhodospirillum centenum SW Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria sp. TM1040 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Segniliparus rotundus DSM 44985 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sulfurihydrogenibium azorense Az-Fu1 Sulfurimonas denitrificans DSM 1251 Synechococcus sp. WH 8102 Synechococcus sp. CC9902 Synechococcus sp. CC9311 Synechococcus sp. WH 7803 Synechococcus sp. RCC307 Synechococcus sp. PCC 7002 Syntrophobacter fumaroxidans MPOB Thermocrinis albus DSM 14484 Thermomicrobium roseum DSM 5159 Thermosipho africanus TCF52B Thioalkalivibrio sp. K90mix Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xylella fastidiosa 9a5c Xylella fastidiosa Temecula1 Xylella fastidiosa M23 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479 Veillonella seminalis ACS-216-V-Col6b Veillonella sp. 6_1_27

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
MMDBr0019452	5-Methylthioribulose 1-phosphate	5-(methylsulfanyl)-2,3-dioxopentyl phosphate	Methylthioribulose-1-phosphate dehydratase	Hydration/dehydration of C-O bond	PathBank	31602464
MMDBr0019453	5-Methylthioribose 1-phosphate	5-Methylthioribulose 1-phosphate	Methylthioribose-1-phosphate isomerase	Isomerization	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	60	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Firmicutes	129	Human feces; Human pleural fluid plaque; Human	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	12	Human feces; Human ; Human supragingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	14	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	158	Human feces; Human ; Human feces; pleural fluid plaque; bal; Sheep	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	7	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	7	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Aquificae	3
Eukaryota/Fungi	Basidiomycota	5
Bacteria/Eubacteria	Cyanobacteria	16	Human
Bacteria	Firmicutes	1	Human feces; Human pleural fluid plaque; Human	Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	2		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	7		Metabolic reconstruction
Bacteria/Eubacteria	Chloroflexi	8
Bacteria/Eubacteria	Chlorobi	1
Bacteria	Proteobacteria	1	Human feces; Human ; Human feces; pleural fluid plaque; bal; Sheep	Metabolic reconstruction
Bacteria/Eubacteria	Thermotogae	9
Bacteria/Eubacteria	Gemmatimonadetes	1
Bacteria/Eubacteria	Acidobacteria	2
Bacteria	nah	1
Bacteria/Eubacteria	Deinococcus-thermus	2
Bacteria/Eubacteria	Nitrospirae	1

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 Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0001299

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022541

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

6143

PubChem Compound

174549

PDB ID

Not Available

ChEBI ID

28096

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Ghoda LY, Savarese TM, Dexter DL, Parks RE Jr, Trackman PC, Abeles RH: Characterization of a defect in the pathway for converting 5'-deoxy-5'-methylthioadenosine to methionine in a subline of a cultured heterogeneous human colon carcinoma. J Biol Chem. 1984 Jun 10;259(11):6715-9. [PubMed:6725268 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for 5-Methylthioribulose 1-phosphate (MMDBc0032926)

MOL for #<Metabolite:0x00007f9ac8b26168>

3D MOL for #<Metabolite:0x00007f9ac8b26168>

3D SDF for #<Metabolite:0x00007f9ac8b26168>

3D-SDF for #<Metabolite:0x00007f9ac8b26168>

PDB for #<Metabolite:0x00007f9ac8b26168>

3D PDB for #<Metabolite:0x00007f9ac8b26168>

SMILES for #<Metabolite:0x00007f9ac8b26168>

INCHI for #<Metabolite:0x00007f9ac8b26168>

Structure for #<Metabolite:0x00007f9ac8b26168>

3D Structure for #<Metabolite:0x00007f9ac8b26168>