Showing Compound D-Arabinose (FDB001219)

Record Information

Version

1.0

Creation date

2010-04-08 22:04:53 UTC

Update date

2019-11-26 02:56:07 UTC

Primary ID

FDB001219

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

D-Arabinose

Description

D-Arabinose, also known as (+/-)-arabinose or aloe sugar, belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. D-Arabinose is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Arabinose has been detected, but not quantified in, sweet basils and tamarinds. This could make D-arabinose a potential biomarker for the consumption of these foods.

CAS Number

147-81-9

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
(+/-)-arabinose	HMDB
(-)-arabinose	biospider
(2S,3R,4R)-2,3,4,5-Tetrahydroxypentanal	ChEBI
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal	biospider
Aloe sugar	HMDB
Aloinose	HMDB
Arabinose(d)	biospider
Arabinose, d-	biospider
Arabinose, D- (8CI)	biospider
Arabinose,d	biospider

Showing 1 to 10 of 16 entries

Predicted Properties

Property	Value	Source
Water Solubility	380 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.9	ChemAxon
logS	0.4	ALOGPS
pKa (Strongest Acidic)	12.33	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	31.38 m³·mol⁻¹	ChemAxon
Polarizability	13.42 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

Chemical Formula

C5H10O5

IUPAC name

(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal

InChI Identifier

InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1

InChI Key

PYMYPHUHKUWMLA-WDCZJNDASA-N

Isomeric SMILES

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

Average Molecular Weight

150.1299

Monoisotopic Molecular Weight

150.05282343

Classification

Description

Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentoses

Alternative Parents

Substituents

Pentose monosaccharide
Beta-hydroxy aldehyde
Alpha-hydroxyaldehyde
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Short-chain aldehyde
Primary alcohol
Carbonyl group
Aldehyde
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

D-arabinose (CHEBI:46983 )
aldehydo-arabinose (CHEBI:46983 )

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	pKa 12.34 (25°)	DFC
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	C 40.00%; H 6.71%; O 53.28%	DFC
Melting Point	Mp 159-160°	DFC
Optical Rotation	[a]D -175 -> -105 (H2O)	DFC

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-052f-9100000000-3d844ea1b588172feaf0	Spectrum
Predicted GC-MS	Arabinose, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-05i0-6249400000-6324b88618b9174f1ee5	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-08mi-9100000000-fdc6cb3672d0fd9782e4	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 10V, negative	splash10-0a4i-9000000000-8b4cbdfdbd1d64750afc	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 1V, negative	splash10-0002-1900000000-a6fad2b086e4d72e6455	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 4V, negative	splash10-000j-9500000000-7f3c671f5a2325c13521	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 8V, negative	splash10-052r-9000000000-4607894e05698b4efd4b	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 10V, negative	splash10-0a4r-9000000000-7713ba3bfd41873ed05b	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 14V, negative	splash10-0a4i-9000000000-19cc19a6070f8904f223	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 17V, negative	splash10-0a4i-9000000000-cbfe90fac8fd1f09d178	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - QqQ 20V, negative	splash10-0a4i-9000000000-194cea61e7f4bb116108	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 10V, negative	splash10-001i-2900000000-0431fbb715edbb5c2854	2020-07-21	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 0V, negative	splash10-001i-0900000000-9b7382416823533b7db1	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 0V, negative	splash10-001i-0900000000-b354fa776d3c927b52a8	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 0V, negative	splash10-001i-1900000000-4f54308f655454dcf238	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-001i-2900000000-ffb4e5e554a72f34fd7b	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-001i-4900000000-df24839373685cc97976	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 2V, negative	splash10-001r-7900000000-08514302c6b21ad9497c	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 2V, negative	splash10-008i-9700000000-9b73d2467b158cb7fe64	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, negative	splash10-00dr-9300000000-80b57725a8299b2e9afa	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 4V, negative	splash10-00dr-9100000000-f5eb0b039697ddead9f8	2020-07-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-2900000000-f8b9c6d77ac7485b2a13	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9300000000-c381cba09705c9d22367	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08fv-9000000000-157eda9875c5cd43b332	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000j-9400000000-8bb17d4c0bc5362b2610	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-06ri-9200000000-f20b8cc45d0196859991	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4l-9000000000-83841c4e2cbd5aa6df09	2015-09-15	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

66308

Pubchem Substance ID

Not Available

ChEBI ID

17108

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB29942

CRC / DFC (Dictionary of Food Compounds) ID

BWQ11-M:BWQ12-N

EAFUS ID

Not Available

Dr. Duke ID

D-ARABINOSE

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Arabinose

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).

Showing Compound D-Arabinose (FDB001219)

Structure for FDB001219 (D-Arabinose)