MiMeDB: Showing metabocard for D-altritol (MMDBc0055847)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:08:38 UTC

Update Date

2025-10-07 16:09:24 UTC

Metabolite ID

MMDBc0055847

Metabolite Identification

Common Name

D-altritol

Description

D-altritol is a sugar alcohol belonging to the chemical class of polyols. Its chemical structure features a six-carbon chain with multiple hydroxyl groups, making it a diastereomer of D-mannitol and D-sorbitol. D-altritol is involved in various biochemical pathways, notably in the catabolism of carbohydrates. For instance, research has identified novel catabolic pathways for D-altritol in Agrobacterium tumefaciens C58, where it undergoes oxidation to D-tagatose via a dehydrogenase, followed by phosphorylation to D-tagatose 6-phosphate, and further epimerization (PMID:26472925 ). Additionally, D-altritol plays a role in the directed evolution of reverse transcriptases for D-altritol nucleic acid, highlighting its potential in nucleic acid chemistry (PMID:40560975 ). Furthermore, constrained D-altritol nucleic acids (cANA) have been synthesized to study their biophysical properties and interactions with RNA, revealing insights into their duplex formation capabilities (PMID:23937264 ). Overall, D-altritol serves as a significant metabolite in both enzymatic and synthetic pathways, contributing to the understanding of carbohydrate metabolism and nucleic acid chemistry.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222082D          

 16 15  0  0  1  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  1  0  0  0
  5 11  1  6  0  0  0
  6 12  1  1  0  0  0
  3 13  1  1  0  0  0
  4 14  1  1  0  0  0
  5 15  1  6  0  0  0
  6 16  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0055847

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1

> <INCHI_KEY>
FBPFZTCFMRRESA-KAZBKCHUSA-N

> <FORMULA>
C6H14O6

> <MOLECULAR_WEIGHT>
182.172

> <EXACT_MASS>
182.079038171

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.034626466549142

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5R)-hexane-1,2,3,4,5,6-hexol

> <JCHEM_LOGP>
-3.7300188486666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.37874915684328

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.585200956788803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974211614825128

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
38.4036

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5R)-hexane-1,2,3,4,5,6-hexol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.645   1.334   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       6.311   2.104   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   1.334   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.357   1.334   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       8.978   2.104   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       2.310  -0.206   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.311   3.644   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.644   3.644   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
HETATM   13  H   UNK     0       2.310   2.874   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       6.311   0.564   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       3.644   0.564   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       4.977   2.874   0.000  0.00  0.00           H+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    5    9   13                                             
CONECT    4    2    6   10   14                                             
CONECT    5    3    6   11   15                                             
CONECT    6    4    5   12   16                                             
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    3                                                            
CONECT   14    4                                                            
CONECT   15    5                                                            
CONECT   16    6                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

Synonyms

Value	Source
Altritol	ChEBI
Talitol	ChEBI
D-Altritol	MeSH
L-Altritol	MeSH

Molecular Formula

C₆H₁₄O₆

Average Mass

182.172

Monoisotopic Mass

182.079038171

IUPAC Name

(2R,3R,4S,5R)-hexane-1,2,3,4,5,6-hexol

Traditional Name

(2R,3R,4S,5R)-hexane-1,2,3,4,5,6-hexol

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO

InChI Identifier

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1

InChI Key

FBPFZTCFMRRESA-KAZBKCHUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar alcohols

Alternative Parents

Substituents

Sugar alcohol
Monosaccharide
Secondary alcohol
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-3.7	ChemAxon
pKa (Strongest Acidic)	12.59	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	121.38 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	38.4 m³·mol⁻¹	ChemAxon
Polarizability	17.03 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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 (TMS_5_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	D-altritol_TMS_1	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2007.63
Gas Chromatography	D-altritol_TMS_2	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2464.07
Gas Chromatography	D-altritol_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1338.15
Gas Chromatography	D-altritol_TMS_4	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](O)CO	standard non polar	2025-10-24	1876.72
Gas Chromatography	D-altritol_TMS_5	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-24	1987.14
Gas Chromatography	D-altritol_TMS_6	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-24	2238.21
Gas Chromatography	D-altritol_TMS_7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2069.33
Gas Chromatography	D-altritol_TMS_8	C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1768.19
Gas Chromatography	D-altritol_TMS_9	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1985.48
Gas Chromatography	D-altritol_TMS_10	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1939.52
Gas Chromatography	D-altritol_TMS_11	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1700.65
Gas Chromatography	D-altritol_TMS_12	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2127.14
Gas Chromatography	D-altritol_TMS_13	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1670.41
Gas Chromatography	D-altritol_TMS_14	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2059.68
Gas Chromatography	D-altritol_TMS_15	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2292.05
Gas Chromatography	D-altritol_TMS_16	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2102.32
Gas Chromatography	D-altritol_TMS_17	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2559.64
Gas Chromatography	D-altritol_TMS_18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1851.66
Gas Chromatography	D-altritol_TMS_19	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2013.63
Gas Chromatography	D-altritol_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-24	1927.38
Gas Chromatography	D-altritol_TMS_21	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-24	1851.27
Gas Chromatography	D-altritol_TMS_22	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2066.5
Gas Chromatography	D-altritol_TMS_23	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2398.31
Gas Chromatography	D-altritol_TMS_24	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2391.31
Gas Chromatography	D-altritol_TMS_25	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1878.24
Gas Chromatography	D-altritol_TMS_26	C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1544.74
Gas Chromatography	D-altritol_TMS_27	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2006.32
Gas Chromatography	D-altritol_TMS_28	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1819.42
Gas Chromatography	D-altritol_TMS_29	C[Si](C)(C)O[C@@H]([C@@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1356.8
Gas Chromatography	D-altritol_TMS_30	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2402.7
Gas Chromatography	D-altritol_TMS_31	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1273.42
Gas Chromatography	D-altritol_TMS_32	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1915.29
Gas Chromatography	D-altritol_TMS_33	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1507.19
Gas Chromatography	D-altritol_TMS_34	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1533.73
Gas Chromatography	D-altritol_TMS_35	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1907.82
Gas Chromatography	D-altritol_TMS_36	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2110.68
Gas Chromatography	D-altritol_TMS_37	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2007.51
Gas Chromatography	D-altritol_TMS_38	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1599.22
Gas Chromatography	D-altritol_TMS_39	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2399.4
Gas Chromatography	D-altritol_TMS_40	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2208.3
Gas Chromatography	D-altritol_TMS_41	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-24	2375.72
Gas Chromatography	D-altritol_TMS_42	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1487.15
Gas Chromatography	D-altritol_TMS_43	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1787.62
Gas Chromatography	D-altritol_TMS_44	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2929.13
Gas Chromatography	D-altritol_TMS_45	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2261.48
Gas Chromatography	D-altritol_TMS_46	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1980.84
Gas Chromatography	D-altritol_TMS_47	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1490.93
Gas Chromatography	D-altritol_TMS_48	C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1229.39
Gas Chromatography	D-altritol_TMS_49	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2002.05
Gas Chromatography	D-altritol_TMS_50	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1784.52
Gas Chromatography	D-altritol_TMS_51	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1438.89
Gas Chromatography	D-altritol_TMS_52	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1309.64
Gas Chromatography	D-altritol_TMS_53	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1852.98
Gas Chromatography	D-altritol_TMS_54	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2415.92
Gas Chromatography	D-altritol_TMS_55	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2444.99
Gas Chromatography	D-altritol_TMS_56	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2109.57
Gas Chromatography	D-altritol_TMS_57	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1596.94
Gas Chromatography	D-altritol_TMS_58	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1787.71
Gas Chromatography	D-altritol_TMS_59	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1392.27
Gas Chromatography	D-altritol_TMS_60	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2320.32
Gas Chromatography	D-altritol_TMS_61	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1885.77
Gas Chromatography	D-altritol_TMS_62	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2159.25
Gas Chromatography	D-altritol_TMS_63	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2571.92
Gas Chromatography	D-altritol_TMS_1	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1910.65
Gas Chromatography	D-altritol_TMS_2	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1920.53
Gas Chromatography	D-altritol_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2165.85
Gas Chromatography	D-altritol_TMS_4	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](O)CO	standard polar	2025-10-24	2235.22
Gas Chromatography	D-altritol_TMS_5	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO	standard polar	2025-10-24	2528.33
Gas Chromatography	D-altritol_TMS_6	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	standard polar	2025-10-24	2449.95
Gas Chromatography	D-altritol_TMS_7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2073.26
Gas Chromatography	D-altritol_TMS_8	C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2219.34
Gas Chromatography	D-altritol_TMS_9	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1981.46
Gas Chromatography	D-altritol_TMS_10	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2693.42
Gas Chromatography	D-altritol_TMS_11	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2232.09
Gas Chromatography	D-altritol_TMS_12	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2292.91
Gas Chromatography	D-altritol_TMS_13	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2154.48
Gas Chromatography	D-altritol_TMS_14	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1739.48
Gas Chromatography	D-altritol_TMS_15	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1981.14
Gas Chromatography	D-altritol_TMS_16	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2291.57
Gas Chromatography	D-altritol_TMS_17	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1202.29
Gas Chromatography	D-altritol_TMS_18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2066.05
Gas Chromatography	D-altritol_TMS_19	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1572.7
Gas Chromatography	D-altritol_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO	standard polar	2025-10-24	1975.0
Gas Chromatography	D-altritol_TMS_21	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO	standard polar	2025-10-24	2067.73
Gas Chromatography	D-altritol_TMS_22	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1973.42
Gas Chromatography	D-altritol_TMS_23	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2292.87
Gas Chromatography	D-altritol_TMS_24	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1339.38
Gas Chromatography	D-altritol_TMS_25	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2010.05
Gas Chromatography	D-altritol_TMS_26	C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2589.63
Gas Chromatography	D-altritol_TMS_27	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2608.26
Gas Chromatography	D-altritol_TMS_28	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2282.04
Gas Chromatography	D-altritol_TMS_29	C[Si](C)(C)O[C@@H]([C@@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2558.55
Gas Chromatography	D-altritol_TMS_30	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2449.11
Gas Chromatography	D-altritol_TMS_31	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2114.41
Gas Chromatography	D-altritol_TMS_32	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2074.44
Gas Chromatography	D-altritol_TMS_33	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2081.06
Gas Chromatography	D-altritol_TMS_34	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1979.47
Gas Chromatography	D-altritol_TMS_35	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2925.27
Gas Chromatography	D-altritol_TMS_36	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1774.61
Gas Chromatography	D-altritol_TMS_37	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1549.9
Gas Chromatography	D-altritol_TMS_38	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2311.71
Gas Chromatography	D-altritol_TMS_39	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1627.41
Gas Chromatography	D-altritol_TMS_40	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1733.86
Gas Chromatography	D-altritol_TMS_41	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO	standard polar	2025-10-24	2195.48
Gas Chromatography	D-altritol_TMS_42	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1584.4
Gas Chromatography	D-altritol_TMS_43	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1797.46
Gas Chromatography	D-altritol_TMS_44	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2498.71
Gas Chromatography	D-altritol_TMS_45	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2111.14
Gas Chromatography	D-altritol_TMS_46	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2171.58
Gas Chromatography	D-altritol_TMS_47	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2915.78
Gas Chromatography	D-altritol_TMS_48	C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1978.12
Gas Chromatography	D-altritol_TMS_49	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2673.37
Gas Chromatography	D-altritol_TMS_50	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1809.1
Gas Chromatography	D-altritol_TMS_51	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2246.34
Gas Chromatography	D-altritol_TMS_52	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1536.52
Gas Chromatography	D-altritol_TMS_53	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1550.34
Gas Chromatography	D-altritol_TMS_54	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2808.93
Gas Chromatography	D-altritol_TMS_55	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2102.31
Gas Chromatography	D-altritol_TMS_56	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1953.11
Gas Chromatography	D-altritol_TMS_57	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1825.19
Gas Chromatography	D-altritol_TMS_58	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2249.07
Gas Chromatography	D-altritol_TMS_59	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2994.7
Gas Chromatography	D-altritol_TMS_60	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2403.78
Gas Chromatography	D-altritol_TMS_61	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1917.65
Gas Chromatography	D-altritol_TMS_62	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2313.55
Gas Chromatography	D-altritol_TMS_63	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1947.35

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

133318

KEGG Compound ID

Not Available

BioCyc ID

CPD-12811

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

151263

PDB ID

Not Available

ChEBI ID

134311

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for D-altritol (MMDBc0055847)

MOL for #<Metabolite:0x0000561537ea8420>

3D MOL for #<Metabolite:0x0000561537ea8420>

3D SDF for #<Metabolite:0x0000561537ea8420>

3D-SDF for #<Metabolite:0x0000561537ea8420>

PDB for #<Metabolite:0x0000561537ea8420>

3D PDB for #<Metabolite:0x0000561537ea8420>

SMILES for #<Metabolite:0x0000561537ea8420>

INCHI for #<Metabolite:0x0000561537ea8420>

Structure for #<Metabolite:0x0000561537ea8420>

3D Structure for #<Metabolite:0x0000561537ea8420>