Xylose (Compound)

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ID	2229
Name	Xylose
Synonyms	D-Xylose
Structure	MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure Structure for EE002229 (Xylose) 3D Structure for EE002229 (Xylose) 135191 -OEChem-10221911043D 20 20 0 1 0 0 0 0 0999 V2000 0.6887 -1.6397 -0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3483 1.9236 -0.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 1.8840 0.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7477 -0.5516 0.2966 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.5199 -0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 0.8110 0.1810 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7367 0.7869 -0.1778 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4397 -0.4791 -0.2592 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3994 -0.5201 0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6525 -1.6952 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 0.9760 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 0.9450 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.4932 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 -0.5979 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6612 -1.7872 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -2.6099 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 2.7240 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 1.8461 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 0.2472 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 -0.1279 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 135191 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 3 2 6 5 4 7 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 14 1 -0.56 10 0.28 17 0.4 18 0.4 19 0.4 2 -0.68 20 0.4 3 -0.68 4 -0.68 5 -0.68 6 0.28 7 0.28 8 0.28 9 0.56 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1.2 > <PUBCHEM_PHARMACOPHORE_FEATURES> 10 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 6 1 6 7 8 9 10 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 10 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 3 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 1 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0002101700000001 > <PUBCHEM_MMFF94_ENERGY> 21.2438 > <PUBCHEM_FEATURE_SELFOVERLAP> 50.804 > <PUBCHEM_SHAPE_FINGERPRINT> 11206711 2 18337107873890066981 12423570 1 18060413616602549935 161256 15 18411138081866616661 16945 1 18410567392382192874 18185500 45 18050845511766911987 21040471 1 18409445890542713518 23552423 10 18044656640219169750 241688 4 17979641134525892434 2748010 2 18122345949783620895 29004967 10 18411141316003409923 5084963 1 18202561786960746979 66348 1 18194967567516488715 > <PUBCHEM_SHAPE_MULTIPOLES> 176.45 2.82 1.98 0.65 0.05 0.4 0.01 -0.3 0.04 -0.02 -0.02 -0.01 0.03 0.26 > <PUBCHEM_SHAPE_SELFOVERLAP> 350.147 > <PUBCHEM_SHAPE_VOLUME> 102.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Description
Classification	Compounds > Chemical entities > Organic compounds > Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses
CAS number	58-86-6
PubChem ID	135191
ChEBI ID	53455
FooDB ID	FDB001136
HMDB ID	HMDB0000098

Chemical data

MolDBi data

IUPAC Name	(3R,4S,5R)-oxane-2,3,4,5-tetrol
Traditional IUPAC Name	d-xylose
Formula	C5H10O5
InChI	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
InChI Key	SRBFZHDQGSBBOR-IOVATXLUSA-N
Molecular weight	150.1299
Exact mass	150.05282343
SMILES	O[C@@H]1COC(O)[C@H](O)[C@H]1O

ClassyFire Taxonomy

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	Oxanes Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Hydrocarbon derivatives

Publications with Xylose

ID	Title	First author	Authors	Year	Journal	Volume	Issue	Pages	PubMed ID	DOI	Study design	No. of Biomarkers	No. of Intake values	No. of Concentration values	No. of Reproducibility values	No. of Correlation values	No. of Metabolomic associations	No. of Microbiota associations	No. of Cancer associations

Biomarker data

Measurements of Xylose in biospecimens

Concentration values

ID	Parent ID	Depth	Subject group	Population	Country	Cohort	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Measurement size	Detected (nb)	Detected (%)	Detected only?	Arithmethic mean	Arithmethic SD	Geometric mean	Geometric SD	Min	Min (detected)	Percentile_05	Percentile_10	Percentile_25	Median	Percentile_75	Percentile_90	Percentile_95	Max	Interquartile range	Mean 95% CI lower	Mean 95% CI upper	GMean 95% CI lower	GMean 95% CI upper	Unit	Converted arithmetic mean	Converted geometric mean	Converted median	Converted unit	Adjustment type	Adjusted on	Regressed on	Expressed as	Publication

Reproducibility values

ID	Excretion ID	Subject group	Population	Country	Cohort	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Arithmetic mean	Geometric mean	Median	Unit	Adjusted on	Reproducibility size	ICC	ICC 95% CI lower	ICC 95% CI upper	CV% WS	CV% BS	VAR WS	VAR BS	Publication

Associations of Xylose with exposures

Correlation values

ID	Intake ID	Excretion ID	Subject group	Population	Country	Cohort	Intake Time definition	Intake Assessment method	Intake	Intake detail	Supplement intakes included?	Intake Arithmetic mean	Intake Geometric mean	Intake Median	Intake Unit	Intake Adjusted on	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Biomarker Arithmetic mean	Biomarker Geometric mean	Biomarker Median	Biomarker Unit	Biomarker Adjusted on	Correlation size	Correlation type	Correlation value	Correlation 95% CI lower	Correlation 95% CI upper	Correlation p-value	Significant?	Measurement adjustment	Deattenuated?	Covariates	Publication

Metabolomic associations

ID	Intake ID	Excretion ID	Subject group	Population	Country	Cohort	No. of subjects	Intake Assessment method	Intake	Intervention dose	Biospecimen	Analytical method	Biomarker	Structural identification	Feature selection	Area under curve	Sensitivity	Specificity	PLS-DA VIP	Beta coefficient	Beta coefficient p-value	ANOVA p-value	Publication

Microbiota associations

ID	Biomarker	Experimental evidence	Organism	Biospecimen	Antibiotic	Bacterial source	Substrate	Publication

Associations of Xylose with cancer risk

Cancer associations

ID	Excretion ID	Subject group	Population	Country	Cohort	No. of subjects	No. of cases	No. of controls	Biospecimen	Analytical method	Biomarker	Biomarker detail	Cancer	Study design	Publication

Exposure data

Measurements of Xylose exposures in populations

Intake values

ID	Parent ID	Depth	Subject group	Population	Country	Cohort	Intake Time definition	Intake assessment tool	Intake food coverage	Intake time coverage	Intake Assessment method	Intake	Intake detail	Food description	Supplement intakes included?	Measurement size	Detected (nb)	Detected (%)	Detected only?	Arithmethic mean	Arithmethic SD	Geometric mean	Geometric SD	Min	Min (detected)	Percentile_05	Percentile_10	Percentile_25	Median	Percentile_75	Percentile_90	Percentile_95	Max	Interquartile range	Mean 95% CI lower	Mean 95% CI upper	GMean 95% CI lower	GMean 95% CI upper	Unit	Converted arithmetic mean	Converted geometric mean	Converted median	Converted unit	Adjustment type	Adjusted on	Regressed on	Expressed as	Publication

Associations of Xylose exposures with biomarkers

Correlation values

ID	Intake ID	Excretion ID	Subject group	Population	Country	Cohort	Intake Time definition	Intake Assessment method	Intake	Intake detail	Supplement intakes included?	Intake Arithmetic mean	Intake Geometric mean	Intake Median	Intake Unit	Intake Adjusted on	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Biomarker Arithmetic mean	Biomarker Geometric mean	Biomarker Median	Biomarker Unit	Biomarker Adjusted on	Correlation size	Correlation type	Correlation value	Correlation 95% CI lower	Correlation 95% CI upper	Correlation p-value	Significant?	Measurement adjustment	Deattenuated?	Covariates	Publication