Mannitol (Compound)

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ID	1717
Name	Mannitol
Synonyms	D-Mannitol
Structure	MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure Structure for EE001717 (Mannitol) 3D Structure for EE001717 (Mannitol) 6251 -OEChem-09232116053D 26 25 0 1 0 0 0 0 0999 V2000 0.5166 1.3302 -1.1366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -1.3358 -1.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.0186 1.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 1.0310 1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -0.1186 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 0.1020 -0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 0.4748 0.0024 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6047 -0.4724 0.0035 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9649 -0.2560 -0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9614 0.2601 -0.0078 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1762 0.6728 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.6693 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 1.1123 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 -1.1051 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -0.9551 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.9595 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 1.3426 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.2728 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -1.3300 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 -1.2845 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 0.7909 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -0.8010 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -1.7939 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 0.4178 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -0.6503 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 0.6793 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 6251 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 2 1 9 18 6 8 12 15 17 3 4 7 5 16 11 13 10 14 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 18 1 -0.68 10 0.28 11 0.28 12 0.28 2 -0.68 21 0.4 22 0.4 23 0.4 24 0.4 25 0.4 26 0.4 3 -0.68 4 -0.68 5 -0.68 6 -0.68 7 0.28 8 0.28 9 0.28 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 5 > <PUBCHEM_PHARMACOPHORE_FEATURES> 12 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor > <PUBCHEM_HEAVY_ATOM_COUNT> 12 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 4 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <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> 0000186B00000002 > <PUBCHEM_MMFF94_ENERGY> 27.6641 > <PUBCHEM_FEATURE_SELFOVERLAP> 60.928 > <PUBCHEM_SHAPE_FINGERPRINT> 10219947 1 18335423460667702855 11062470 55 15574712499601305235 12932764 1 18339062861419945556 14325111 11 17989211412545896697 14993402 34 18410573998036359774 15775835 57 18411982464020967169 190213 19 18410294722436319330 20201158 50 16225765207528629336 20279233 1 15719114643011042913 20281407 28 15068623790168821256 20645477 70 17604416402110737403 22485316 2 17095237033852731682 23235685 24 17917709106260904599 23402539 116 17060333020434345565 29004967 10 17167865257530475024 5084963 1 18407760352455766633 57812782 119 15770057228628787236 > <PUBCHEM_SHAPE_MULTIPOLES> 211.74 6.63 1.1 0.94 0.03 0 -0.04 -0.01 -0.53 0 0.09 0 0 -0.49 > <PUBCHEM_SHAPE_SELFOVERLAP> 397.123 > <PUBCHEM_SHAPE_VOLUME> 131.3 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Description
Classification	Compounds > Chemical entities > Organic compounds > Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar alcohols
CAS number	69-65-8
PubChem ID	6251
ChEBI ID	16899
FooDB ID	FDB001982
HMDB ID	HMDB0000765

Chemical data

MolDBi data

IUPAC Name	(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
Traditional IUPAC Name	mannitol
Formula	C6H14O6
InChI	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-KVTDHHQDSA-N
Molecular weight	182.1718
Exact mass	182.07903818
SMILES	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

ClassyFire 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	Monosaccharides Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives

Publications with Mannitol

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 Mannitol 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 Mannitol 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 Mannitol 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 Mannitol 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 Mannitol 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