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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:49:03 UTC

HMDB ID

HMDB0000568

Secondary Accession Numbers

HMDB00568

Metabolite Identification

Common Name

D-Arabitol

Description

D-Arabitol is a polyol. Polyols are sugar alcohols linked to the pentose phosphate pathway (PPP). They are classified on the basis of the number of carbon atoms. Polyols occur in body fluids. A patient with leukoencephalopathy and peripheral neuropathy has been identified as suffering from ribose-5-phosphate isomerase (RPI) deficiency, a defect in the PPP. In this disorder, highly elevated concentrations of the C5 polyols such as D-arabitol are found in body fluids. In addition, transaldolase deficiency, another defect in the PPP, has been diagnosed in a patient with mainly liver problems among others. This patient had increased concentrations of polyols, mainly D-arabitol. So far, the pathophysiological role of polyols is relatively unknown. It is thought that D-arabitol is a metabolic end-product in humans. The strong brain-CSF-plasma gradient of polyols in the patient with RPI deficiency suggested a primary metabolic disorder. The mechanisms of brain and neuronal damage in RPI deficiency remain to be elucidated. A neurotoxic effect due to the accumulation of the polyols may play a role. D-Arabitol is a product of the enzyme D-arabinitol 4-dehydrogenase (EC 1.1.1.11) in the pentose and glucuronate interconversion pathway (PMID: 16435225 , J Inherit Metab Dis. 2005;28(6):1181-3). D-Arabitol has also been found to be a fungal metabolite, urinary D-Arabinitol is a marker for invasive candidiasis or infection by Candida fungal species (PMID: 15183861 ; PMID: 10647119 ). It can also a metabolite in Debaryomyces, Pichia and Zygosaccharomyces (PMID: 25809659 ).

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
D-Arabinol	ChEBI
D-Lyxitol	ChEBI
D-Arabinitol	Kegg
Arabitol, (D)-isomer	HMDB
Arabitol	HMDB
D-(+)-Arabitol	HMDB
(+--)-Arabitol	HMDB
DL-Arabitol	HMDB
Arabino-pentitol	HMDB
Lyxitol	HMDB
D-Arabitol	ChEBI

Chemical Formula

C₅H₁₂O₅

Average Molecular Weight

152.1458

Monoisotopic Molecular Weight

152.068473494

IUPAC Name

(2R,4R)-pentane-1,2,3,4,5-pentol

Traditional Name

arabitol

CAS Registry Number

488-82-4

SMILES

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

InChI Identifier

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1

InChI Key

HEBKCHPVOIAQTA-QWWZWVQMSA-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

arabinitol (CHEBI:18333 )

Ontology

Physiological effect

Adverse health effect

Infection or infestation

Viral infection

Invasive candidiasis (PMID: 493963 )

Digestive system disorder

Gastrointestinal disorder

Upper GI Disorder

Eosinophilic esophagitis (PMID: 17334708 , PMID: 32966057 , PMID: 22623390 , +128

Source	Link
Pubmed	PMID: 17334708
Pubmed	PMID: 32966057
Pubmed	PMID: 22623390
Pubmed	PMID: 16870009
Pubmed	PMID: 26910390
Pubmed	PMID: 8087979
Pubmed	PMID: 25105552
Pubmed	PMID: 17349089
Pubmed	PMID: 24023812
Pubmed	PMID: 12376931
Pubmed	PMID: 15992788
Pubmed	PMID: 24341803
Pubmed	PMID: 19468821
Pubmed	PMID: 9625050
Pubmed	PMID: 2420598
Pubmed	PMID: 27012787
Pubmed	PMID: 30830347
Pubmed	PMID: 19551947
Pubmed	PMID: 19309105
Pubmed	PMID: 2026685
Pubmed	PMID: 5727921
Pubmed	PMID: 22024767
Pubmed	PMID: 17031479
Pubmed	PMID: 9439441
Pubmed	PMID: 9625050
Pubmed	PMID: 28649521
Pubmed	PMID: 28649521
Pubmed	PMID: 12097436
Pubmed	PMID: 8257730
Pubmed	PMID: 3168222
Pubmed	PMID: 9869364
Pubmed	PMID: 3436096
Pubmed	PMID: 22157537
Pubmed	PMID: 1246461
Pubmed	PMID: 25691415
Pubmed	PMID: 18004736
Pubmed	PMID: 31506554
Pubmed	PMID: 20423563
Pubmed	PMID: 25536744
Pubmed	PMID: 21388201
Pubmed	PMID: 4903899
Pubmed	PMID: 14708889
Pubmed	PMID: 14967154
Pubmed	PMID: 6774165
Pubmed	PMID: 21389975
Pubmed	PMID: 3709568
Pubmed	PMID: 8311084
Pubmed	PMID: 2242313
Pubmed	PMID: 20549362
Pubmed	PMID: 12555941
Pubmed	PMID: 10731506
Pubmed	PMID: 28157703
Pubmed	PMID: 20576202
Pubmed	PMID: 12368406
Pubmed	PMID: 26066683
Pubmed	PMID: 16736096
Pubmed	PMID: 25597510
Pubmed	PMID: 22800120
Pubmed	PMID: 16139832
Pubmed	PMID: 17287286
Pubmed	PMID: 17301081
Pubmed	PMID: 30817767
Pubmed	PMID: 25851806
Pubmed	PMID: 2587127
Pubmed	PMID: 11893004
Pubmed	PMID: 10102904
Pubmed	PMID: 23430553
Pubmed	PMID: 12705346
Pubmed	PMID: 19075476
Pubmed	PMID: 3571488
Pubmed	PMID: 7776094
Pubmed	PMID: 31963255
Pubmed	PMID: 23093139
Pubmed	PMID: 22284503
Pubmed	PMID: 8503438
Pubmed	PMID: 1246461
Pubmed	PMID: 20502474
Pubmed	PMID: 15558695
Pubmed	PMID: 422265
Pubmed	PMID: 22308371
Pubmed	PMID: 20549362
Pubmed	PMID: 9177981
Pubmed	PMID: 16828325
Pubmed	PMID: 16460720
Pubmed	PMID: 28157703
Pubmed	PMID: 8487492
Pubmed	PMID: 23890588
Pubmed	PMID: 14586528
Pubmed	PMID: 12927681
Pubmed	PMID: 9686366
Pubmed	PMID: 9029640
Pubmed	PMID: 22148915
Pubmed	PMID: 27123458
Pubmed	PMID: 20971021
Pubmed	PMID: 3169394
Pubmed	PMID: 21670092
Pubmed	PMID: 23363473
Pubmed	PMID: 15519880
Pubmed	PMID: 2380628
Pubmed	PMID: 6616873
Pubmed	PMID: 1870421
Pubmed	PMID: 19754154
Pubmed	PMID: 9857238
Pubmed	PMID: 12771321
Pubmed	PMID: 2702744
Pubmed	PMID: 9554495
Pubmed	PMID: 19033659
Pubmed	PMID: 19033659
Pubmed	PMID: 22887155
Pubmed	PMID: 17474139
Pubmed	PMID: 18953024
Pubmed	PMID: 6774165
Pubmed	PMID: 11052553
Pubmed	PMID: 16939360
Pubmed	PMID: 22827565
Pubmed	PMID: 21736852
Pubmed	PMID: 12661026
Pubmed	PMID: 18818040
Pubmed	PMID: 23770102
Pubmed	PMID: 15651030
Pubmed	PMID: 11307586
Pubmed	PMID: 21389975
Pubmed	PMID: 1640293
Pubmed	PMID: 25712379
Pubmed	PMID: 23770102
Pubmed	PMID: 24390407
Pubmed	PMID: 26709303
Pubmed	PMID: 3354621
Pubmed	PMID: 29030856
Pubmed	PMID: 12706375
Pubmed	PMID: 9869358

)

Disposition

Biological location

Cellular substructure

Cytoplasm

Non-excretory biofluid

Blood

Excreta

Feces
Urine

Organ

Placenta

Avocado

Horse

Lagomorphs

Ovis

Sheep (Mutton, Lamb)

Caprae

Domestic goat

Milk and milk products

Unfermented milks

Milk (Cow)

Beverages

Fermented beverages

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	101 - 104 °C	Not Available
Boiling Point	494.53 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	729 mg/mL	Not Available
LogP	-3.774 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	664 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-3.1	ChemAxon
logS	0.64	ALOGPS
pKa (Strongest Acidic)	12.76	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	101.15 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	32.44 m³·mol⁻¹	ChemAxon
Polarizability	14.28 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	135.827	32859911
AllCCS	[M-H]-	126.795	32859911
DeepCCS	[M+H]+	131.69	30932474
DeepCCS	[M-H]-	129.11	30932474
DeepCCS	[M-2H]-	164.848	30932474
DeepCCS	[M+Na]+	139.767	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Arabitol	OC[C@@H](O)C(O)[C@H](O)CO	3114.0	Standard polar	33892256
D-Arabitol	OC[C@@H](O)C(O)[C@H](O)CO	1680.3	Standard non polar	33892256
D-Arabitol	OC[C@@H](O)C(O)[C@H](O)CO	1493.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Arabitol,1TMS,isomer #1	C[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO	1571.6	Semi standard non polar	33892256
D-Arabitol,1TMS,isomer #2	C[Si](C)(C)O[C@H](CO)C(O)[C@H](O)CO	1551.1	Semi standard non polar	33892256
D-Arabitol,1TMS,isomer #3	C[Si](C)(C)OC([C@H](O)CO)[C@H](O)CO	1516.8	Semi standard non polar	33892256
D-Arabitol,2TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O)[C@H](O)CO	1598.5	Semi standard non polar	33892256
D-Arabitol,2TMS,isomer #2	C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@H](O)CO	1580.3	Semi standard non polar	33892256
D-Arabitol,2TMS,isomer #3	C[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO)O[Si](C)(C)C	1626.9	Semi standard non polar	33892256
D-Arabitol,2TMS,isomer #4	C[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO[Si](C)(C)C	1622.6	Semi standard non polar	33892256
D-Arabitol,2TMS,isomer #5	C[Si](C)(C)OC([C@H](O)CO)[C@@H](CO)O[Si](C)(C)C	1581.5	Semi standard non polar	33892256
D-Arabitol,2TMS,isomer #6	C[Si](C)(C)O[C@H](CO)C(O)[C@@H](CO)O[Si](C)(C)C	1606.4	Semi standard non polar	33892256
D-Arabitol,3TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](O)CO	1653.6	Semi standard non polar	33892256
D-Arabitol,3TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O)[C@@H](CO)O[Si](C)(C)C	1665.4	Semi standard non polar	33892256
D-Arabitol,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1676.7	Semi standard non polar	33892256
D-Arabitol,3TMS,isomer #4	C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1668.8	Semi standard non polar	33892256
D-Arabitol,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	1684.5	Semi standard non polar	33892256
D-Arabitol,3TMS,isomer #6	C[Si](C)(C)OC([C@@H](CO)O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1662.6	Semi standard non polar	33892256
D-Arabitol,4TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1687.4	Semi standard non polar	33892256
D-Arabitol,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1704.8	Semi standard non polar	33892256
D-Arabitol,4TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1705.2	Semi standard non polar	33892256
D-Arabitol,5TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1735.0	Semi standard non polar	33892256
D-Arabitol,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO	1817.5	Semi standard non polar	33892256
D-Arabitol,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](CO)C(O)[C@H](O)CO	1786.0	Semi standard non polar	33892256
D-Arabitol,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC([C@H](O)CO)[C@H](O)CO	1766.1	Semi standard non polar	33892256
D-Arabitol,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@H](O)CO	2048.5	Semi standard non polar	33892256
D-Arabitol,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2034.9	Semi standard non polar	33892256
D-Arabitol,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2065.5	Semi standard non polar	33892256
D-Arabitol,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO[Si](C)(C)C(C)(C)C	2073.9	Semi standard non polar	33892256
D-Arabitol,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC([C@H](O)CO)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2032.6	Semi standard non polar	33892256
D-Arabitol,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H](CO)C(O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2041.7	Semi standard non polar	33892256
D-Arabitol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2294.6	Semi standard non polar	33892256
D-Arabitol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2311.7	Semi standard non polar	33892256
D-Arabitol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2316.7	Semi standard non polar	33892256
D-Arabitol,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2323.5	Semi standard non polar	33892256
D-Arabitol,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	2340.2	Semi standard non polar	33892256
D-Arabitol,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2312.5	Semi standard non polar	33892256
D-Arabitol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2536.7	Semi standard non polar	33892256
D-Arabitol,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2555.7	Semi standard non polar	33892256
D-Arabitol,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2546.1	Semi standard non polar	33892256
D-Arabitol,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2745.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - D-Arabitol GC-MS (5 TMS)	splash10-0gb9-0982000000-4e5007f03273cea8b23e	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_4_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_4_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_4_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_5_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-01vo-9000000000-f065454e8412613f8ecd	2018-05-25	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-01ba-9500000000-67233150807800e941f0	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-01b9-9000000000-1ff17a8b87bbab9a3622	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-044i-9000000000-e0e330c8a899be718f60	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , negative-QTOF	splash10-00m0-2900000000-c6b1101b88fa522fabd0	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol , negative-QTOF	splash10-0zmr-9500000000-164d598431954fc1aeae	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol , negative-QTOF	splash10-0uki-9600000000-b90e9cee04cd0631b599	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF	splash10-00e9-2900000000-75413a29e8c6b3d9a6a1	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF	splash10-0udi-0900000000-c5cc931b9156365c4ca7	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF	splash10-0a5a-0900000000-94cf956e3f47a633d572	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF	splash10-03k9-0900000000-f0634d5b1d1f523b3caa	2018-05-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Arabitol 35V, Negative-QTOF	splash10-00do-9000000000-564c4ccf05ac119a3ac2	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Positive-QTOF	splash10-0udi-1900000000-4f856d537cc8252ecc47	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Positive-QTOF	splash10-03di-9300000000-403bacad5117a30582df	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Positive-QTOF	splash10-03dl-9000000000-eb879b27e7b182cfe7c0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Negative-QTOF	splash10-0udu-9400000000-3db6454ab3e2315aa744	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Negative-QTOF	splash10-0btl-9200000000-b84c400427c7e44eb4dd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Negative-QTOF	splash10-0a4l-9000000000-c37624fb31a8cb33b163	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Positive-QTOF	splash10-014i-4900000000-d02566d106f64f56452d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Positive-QTOF	splash10-01ox-9000000000-94760e1883352d4864b5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Positive-QTOF	splash10-0007-9000000000-a22bb5556fa857db4c5c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Negative-QTOF	splash10-0zmr-9500000000-1887747b16d168b09609	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Negative-QTOF	splash10-0a4i-9000000000-83f8fb1c321a951b0e7e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Negative-QTOF	splash10-0a4l-9000000000-ad178d7c96ba63131c18	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2018-05-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Urine

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	3 (0-5) uM	Adolescent (13-18 years old)	Not Specified	Normal	14988808	details
Blood	Detected and Quantified	0 uM	Not Specified	Not Specified	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	19.0 +/- 6.3 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	9.0-39.0 uM	Adolescent (13-18 years old)	Both	Normal	14988808	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	19.0 +/- 6.3 uM	Not Specified	Not Specified	Normal	Geigy Scientific ...	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Urine	Detected and Quantified	16-89 umol/mmol creatinine	Adolescent (13-18 years old)	Both	Normal	14988808	details
Urine	Detected and Quantified	19.0 +/- 6.0 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Urine	Detected and Quantified	53.153 +/- 16.798 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	Analysis of 30 no...	details
Urine	Detected and Quantified	23 (8-36) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	24023812	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	115 (32 - 198) uM	Adolescent (13-18 years old)	Male	Ribose-5-Phosphate Isomerase Deficiency	14988808	details
Blood	Detected and Quantified	39.4 (0.7-788) uM	Adult (>18 years old)	Both	Invasive candidiasis	493963	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	3342-5535 uM	Adolescent (13-18 years old)	Both	Ribose-5-Phosphate Isomerase Deficiency	14988808	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Urine	Detected and Quantified	1021 - 1612 umol/mmol creatinine	Adult (>18 years old)	Both	Ribose-5-Phosphate Isomerase Deficiency	14988808	details
Urine	Detected and Quantified	63.837 +/- 87.775 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	Analysis of 30 no...	details

Associated Disorders and Diseases

Disease References

Ribose-5-phosphate isomerase deficiency
Huck JH, Verhoeven NM, Struys EA, Salomons GS, Jakobs C, van der Knaap MS: Ribose-5-phosphate isomerase deficiency: new inborn error in the pentose phosphate pathway associated with a slowly progressive leukoencephalopathy. Am J Hum Genet. 2004 Apr;74(4):745-51. Epub 2004 Feb 25. [PubMed:14988808 ]
Invasive candidiasis
Kiehn TE, Bernard EM, Gold JW, Armstrong D: Candidiasis: detection by gas-liquid chromatography of D-arabinitol, a fungal metabolite, in human serum. Science. 1979 Nov 2;206(4418):577-80. [PubMed:493963 ]
Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Eosinophilic esophagitis
Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.

Associated OMIM IDs

608611 (Ribose-5-phosphate isomerase deficiency)
114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

D-arabinitol

METLIN ID

5551

PubChem Compound

94154

PDB ID

Not Available

ChEBI ID

18333

Food Biomarker Ontology

Not Available

VMH ID

ABT_D

MarkerDB ID

MDB00000189

Good Scents ID

rw1233671

References

Synthesis Reference

Delobeau, Didier; Moine, Didier. Process for the preparation of d-arabitol from lactose. Eur. Pat. Appl. (1997), 9 pp.

Material Safety Data Sheet (MSDS)

Not Available

General References

Kiehn TE, Bernard EM, Gold JW, Armstrong D: Candidiasis: detection by gas-liquid chromatography of D-arabinitol, a fungal metabolite, in human serum. Science. 1979 Nov 2;206(4418):577-80. [PubMed:493963 ]
Klusmann A, Fleischer W, Waldhaus A, Siebler M, Mayatepek E: Influence of D-arabitol and ribitol on neuronal network activity. J Inherit Metab Dis. 2005;28(6):1181-3. [PubMed:16435225 ]
Hui M, Cheung SW, Chin ML, Chu KC, Chan RC, Cheng AF: Development and application of a rapid diagnostic method for invasive Candidiasis by the detection of D-/L-arabinitol using gas chromatography/mass spectrometry. Diagn Microbiol Infect Dis. 2004 Jun;49(2):117-23. doi: 10.1016/j.diagmicrobio.2004.02.006. [PubMed:15183861 ]
Christensson B, Sigmundsdottir G, Larsson L: D-arabinitol--a marker for invasive candidiasis. Med Mycol. 1999 Dec;37(6):391-6. [PubMed:10647119 ]
Kordowska-Wiater M: Production of arabitol by yeasts: current status and future prospects. J Appl Microbiol. 2015 Aug;119(2):303-14. doi: 10.1111/jam.12807. Epub 2015 Apr 8. [PubMed:25809659 ]
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-Arabitol (HMDB0000568)

MOL for HMDB0000568 (D-Arabitol)

3D MOL for HMDB0000568 (D-Arabitol)

3D SDF for HMDB0000568 (D-Arabitol)

3D-SDF for HMDB0000568 (D-Arabitol)

PDB for HMDB0000568 (D-Arabitol)

3D PDB for HMDB0000568 (D-Arabitol)

SMILES for HMDB0000568 (D-Arabitol)

INCHI for HMDB0000568 (D-Arabitol)

Structure for HMDB0000568 (D-Arabitol)

3D Structure for HMDB0000568 (D-Arabitol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra