MiMeDB: Showing metabocard for D-Xylonic acid (MMDBc0000524)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:39:43 UTC

Update Date

2024-04-30 19:32:47 UTC

Metabolite ID

MMDBc0000524

Metabolite Identification

Common Name

D-Xylonic acid

Description

D-Xylonic acid belongs to the family of hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group. D-Xylonic acid has been identified in the human placenta (PMID: 32033212 ).

Structure

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

Synonyms

Value	Source
D-Xylonate	ChEBI
D-xylonate	HMDB
L-Xylonic acid	HMDB
Xylonic acid	HMDB
2,3,4,5-Tetrahydroxypentanoic acid	HMDB
Xylonate	HMDB
D-Xylonic acid	Generator

Molecular Formula

C₅H₁₀O₆

Average Mass

166.129

Monoisotopic Mass

166.047738042

IUPAC Name

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid

Traditional Name

xylonic acid

CAS Registry Number

Not Available

SMILES

OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O

InChI Identifier

InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1

InChI Key

QXKAIJAYHKCRRA-FLRLBIABSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Pentose monosaccharide
Beta-hydroxy acid
Sugar acid
Short-chain hydroxy acid
Alpha-hydroxy acid
Fatty acid
Hydroxy acid
Monosaccharide
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Polyol
Primary alcohol
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

xylonic acid (CHEBI:48093 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	258 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-2.8	ChemAxon
logS	0.19	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	32.31 m³·mol⁻¹	ChemAxon
Polarizability	14.33 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	Not Available	2021-10-12	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	splash10-01qd-8900000000-193a9d85b5228b795379	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01ox-9100000000-8bec414894d0d33fe015	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-9000000000-c73340de3d69564bbdc5	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00os-9600000000-83177518f1e5617846aa	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a6r-9000000000-de3c726e9afb017f60dd	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-bf22d6377249e618e793	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	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)	2025-10-23	436.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	350.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	44.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	228.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	315.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	361.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	667.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	760.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	978.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	198.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	369.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	214.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	25.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	410.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	686.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	92.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	314.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	859.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	630.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	D-Xylonic acid_TMS_1	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2186.03
Gas Chromatography	D-Xylonic acid_TMS_2	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2014.3
Gas Chromatography	D-Xylonic acid_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2020.04
Gas Chromatography	D-Xylonic acid_TMS_4	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-23	2154.73
Gas Chromatography	D-Xylonic acid_TMS_5	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-23	1920.51
Gas Chromatography	D-Xylonic acid_TMS_6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1710.46
Gas Chromatography	D-Xylonic acid_TMS_7	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1833.31
Gas Chromatography	D-Xylonic acid_TMS_8	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1949.93
Gas Chromatography	D-Xylonic acid_TMS_9	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1444.4
Gas Chromatography	D-Xylonic acid_TMS_10	C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1976.26
Gas Chromatography	D-Xylonic acid_TMS_11	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2032.0
Gas Chromatography	D-Xylonic acid_TMS_12	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2340.79
Gas Chromatography	D-Xylonic acid_TMS_13	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1971.85
Gas Chromatography	D-Xylonic acid_TMS_14	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2010.75
Gas Chromatography	D-Xylonic acid_TMS_15	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO	standard non polar	2025-10-23	1968.9
Gas Chromatography	D-Xylonic acid_TMS_16	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1886.96
Gas Chromatography	D-Xylonic acid_TMS_17	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1455.01
Gas Chromatography	D-Xylonic acid_TMS_18	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2325.28
Gas Chromatography	D-Xylonic acid_TMS_19	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2537.94
Gas Chromatography	D-Xylonic acid_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1859.44
Gas Chromatography	D-Xylonic acid_TMS_21	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2707.0
Gas Chromatography	D-Xylonic acid_TMS_22	C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1772.03
Gas Chromatography	D-Xylonic acid_TMS_23	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1856.43
Gas Chromatography	D-Xylonic acid_TMS_24	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2284.33
Gas Chromatography	D-Xylonic acid_TMS_25	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2184.7
Gas Chromatography	D-Xylonic acid_TMS_26	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(=O)O	standard non polar	2025-10-23	1591.08
Gas Chromatography	D-Xylonic acid_TMS_27	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2058.67
Gas Chromatography	D-Xylonic acid_TMS_28	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2409.81
Gas Chromatography	D-Xylonic acid_TMS_29	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1847.99
Gas Chromatography	D-Xylonic acid_TMS_30	C[Si](C)(C)OC(=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	2025-10-23	1973.46
Gas Chromatography	D-Xylonic acid_TMS_31	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(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1980.88
Gas Chromatography	D-Xylonic acid_TMS_1	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2204.06
Gas Chromatography	D-Xylonic acid_TMS_2	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2124.53
Gas Chromatography	D-Xylonic acid_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](O)C(=O)O	standard polar	2025-10-23	1948.19
Gas Chromatography	D-Xylonic acid_TMS_4	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)CO	standard polar	2025-10-23	2120.69
Gas Chromatography	D-Xylonic acid_TMS_5	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)CO	standard polar	2025-10-23	2442.59
Gas Chromatography	D-Xylonic acid_TMS_6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2120.78
Gas Chromatography	D-Xylonic acid_TMS_7	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	2155.35
Gas Chromatography	D-Xylonic acid_TMS_8	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2057.17
Gas Chromatography	D-Xylonic acid_TMS_9	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1824.13
Gas Chromatography	D-Xylonic acid_TMS_10	C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	2252.92
Gas Chromatography	D-Xylonic acid_TMS_11	C[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1901.41
Gas Chromatography	D-Xylonic acid_TMS_12	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1485.79
Gas Chromatography	D-Xylonic acid_TMS_13	C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2122.12
Gas Chromatography	D-Xylonic acid_TMS_14	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2549.83
Gas Chromatography	D-Xylonic acid_TMS_15	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO	standard polar	2025-10-23	2206.28
Gas Chromatography	D-Xylonic acid_TMS_16	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	1895.06
Gas Chromatography	D-Xylonic acid_TMS_17	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2097.17
Gas Chromatography	D-Xylonic acid_TMS_18	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2072.21
Gas Chromatography	D-Xylonic acid_TMS_19	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2061.79
Gas Chromatography	D-Xylonic acid_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2089.85
Gas Chromatography	D-Xylonic acid_TMS_21	C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2248.57
Gas Chromatography	D-Xylonic acid_TMS_22	C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1754.72
Gas Chromatography	D-Xylonic acid_TMS_23	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2340.21
Gas Chromatography	D-Xylonic acid_TMS_24	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2296.79
Gas Chromatography	D-Xylonic acid_TMS_25	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2613.02
Gas Chromatography	D-Xylonic acid_TMS_26	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(=O)O	standard polar	2025-10-23	2365.0
Gas Chromatography	D-Xylonic acid_TMS_27	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1891.76
Gas Chromatography	D-Xylonic acid_TMS_28	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3075.56
Gas Chromatography	D-Xylonic acid_TMS_29	C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2310.62
Gas Chromatography	D-Xylonic acid_TMS_30	C[Si](C)(C)OC(=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	2025-10-23	1191.66
Gas Chromatography	D-Xylonic acid_TMS_31	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(=O)O[Si](C)(C)C	standard polar	2025-10-23	1805.83

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Placenta
Urine

Tissue Locations

Placenta

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
MMDBr0038941	D-Xylonic acid	N-[(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanol]-4R-hydroxysphinganine	Alkaline ceramidase YPC1	Hydrolysis	RHEA	34755880

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	Firmicutes	5	Human feces; Human ; Human saliva; Human urine; Human sputum; Human subgingival plaque; Human vaginal fluid; Human supragingival plaque; Human mucosa	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human mucosa; Human feces; Human supragingival plaque; Human saliva; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Placenta	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	949837
Human Blood	Detected but not Quantified				HMDB

External Links

HMDB ID

HMDB0059750

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

5034782

KEGG Compound ID

C00502

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Xylonic_acid

METLIN ID

Not Available

PubChem Compound

6602431

PDB ID

Not Available

ChEBI ID

48093

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for D-Xylonic acid (MMDBc0000524)

MOL for #<Metabolite:0x00007f2e1d8ee7f0>

3D MOL for #<Metabolite:0x00007f2e1d8ee7f0>

3D SDF for #<Metabolite:0x00007f2e1d8ee7f0>

3D-SDF for #<Metabolite:0x00007f2e1d8ee7f0>

PDB for #<Metabolite:0x00007f2e1d8ee7f0>

3D PDB for #<Metabolite:0x00007f2e1d8ee7f0>

SMILES for #<Metabolite:0x00007f2e1d8ee7f0>

INCHI for #<Metabolite:0x00007f2e1d8ee7f0>

Structure for #<Metabolite:0x00007f2e1d8ee7f0>

3D Structure for #<Metabolite:0x00007f2e1d8ee7f0>