1-Decanoyl-rac-glycerol (Compound)

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ID	2175
Name	1-Decanoyl-rac-glycerol
Synonyms	2,3-Dihydroxypropyl decanoate; Glyceryl caprate; Monocaprin; rac-1-Monodecanoylglycerol
Structure	MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure Structure for EE002175 (1-Decanoyl-rac-glycerol) 3D Structure for EE002175 (1-Decanoyl-rac-glycerol) 92926 -OEChem-12292204363D 43 42 0 1 0 0 0 0 0999 V2000 -3.2079 -0.1586 0.1811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0097 1.7642 -0.2664 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5589 -1.4219 -0.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0074 -0.5760 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 0.4153 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.4619 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 -0.3847 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4695 0.3333 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 0.4828 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 -0.5049 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -0.3051 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0248 0.2835 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2604 -0.5729 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 0.5739 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4338 0.5593 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 -0.3778 0.2238 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9431 0.3514 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9768 1.2568 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 0.8384 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.8710 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 -1.3124 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -0.7902 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -1.2386 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 0.7607 -1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5113 1.1774 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 1.3505 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 0.8757 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -1.3592 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7762 -0.9181 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -0.6950 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 -1.1406 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0249 0.6513 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 1.1595 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3046 -0.9262 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1664 0.0079 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -1.4449 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 1.3844 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 0.9647 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5581 -0.8664 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0473 1.1556 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0393 0.7676 -0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6013 -1.0131 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8376 -0.0826 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 16 1 0 0 0 0 3 42 1 0 0 0 0 4 17 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 92926 > <PUBCHEM_CONFORMER_RMSD> 1.2 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 68 71 66 55 28 11 8 63 37 89 50 79 67 12 87 81 58 65 38 20 7 25 30 13 70 60 31 16 88 44 64 19 21 59 18 17 45 84 41 14 27 24 32 85 22 74 72 35 39 51 76 78 10 61 73 69 57 62 54 29 77 5 86 26 23 6 15 34 2 82 33 36 49 83 53 3 52 46 80 40 9 75 4 48 43 47 56 42 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 11 1 -0.43 11 0.06 14 0.66 15 0.28 16 0.28 17 0.28 2 -0.57 3 -0.68 4 -0.68 42 0.4 43 0.4 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 12 > <PUBCHEM_PHARMACOPHORE_FEATURES> 6 1 13 hydrophobe 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor > <PUBCHEM_HEAVY_ATOM_COUNT> 17 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <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> 00016AFE00000001 > <PUBCHEM_MMFF94_ENERGY> 9.0866 > <PUBCHEM_FEATURE_SELFOVERLAP> 30.456 > <PUBCHEM_SHAPE_FINGERPRINT> 10066227 49 18271247098250753286 10968037 39 18259984877328295115 11315181 36 18202286913902593553 12091667 2 18113620075719610465 13533116 47 17313372397467884576 13885169 127 18273217460771307249 14123256 10 18113337509673435602 14251764 18 18187363212772410042 14251764 46 18410856555344828779 14729087 3 7925918070935585534 155225 1 8646499518655435103 15716309 27 18131349717343382351 17834076 25 8358258141962960217 18006028 8 18410855464423609837 21095086 128 18202563969463685302 21150785 3 16226047794965198794 21267235 1 18409451392385640496 21315763 28 18409166594169723132 22224240 67 15770052835336166868 23035841 295 18343301474355180623 232437 2 18335422365752015106 23402539 116 18408881841694862645 23521765 1 18342176665812954488 246663 6 18202285805442302162 33684 2 18113617881086150858 4325135 7 18409448085323846982 59682541 35 18343581871764533842 67123 10 18412263948463312076 8209 1 15068622691110698554 > <PUBCHEM_SHAPE_MULTIPOLES> 326.37 28.05 1 0.64 20.29 0.11 -0.01 -5.28 -0.42 -0.74 -0.1 -0.07 -0.04 -0.26 > <PUBCHEM_SHAPE_SELFOVERLAP> 601.864 > <PUBCHEM_SHAPE_VOLUME> 205.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Description
Classification	Compounds > Chemical entities > Organic compounds > Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols
CAS number	2277-23-8
PubChem ID	92926
ChEBI ID	75551
FooDB ID
HMDB ID

Chemical data

MolDBi data

IUPAC Name	2,3-dihydroxypropyl decanoate
Traditional IUPAC Name	2,3-dihydroxypropyl decanoate
Formula	C13H26O4
InChI	InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3
InChI Key	LKUNXBRZDFMZOK-UHFFFAOYSA-N
Molecular weight	246.347
Exact mass	246.183109317
SMILES	CCCCCCCCCC(=O)OCC(O)CO

ClassyFire Taxonomy

Description	belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
Kingdom	Organic compounds
Super Class	Lipids and lipid-like molecules
Class	Glycerolipids
Sub Class	Monoradylglycerols
Direct Parent	1-monoacylglycerols
Alternative Parents	Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds

Publications with 1-Decanoyl-rac-glycerol

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 1-Decanoyl-rac-glycerol 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 1-Decanoyl-rac-glycerol 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 1-Decanoyl-rac-glycerol 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 1-Decanoyl-rac-glycerol 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 1-Decanoyl-rac-glycerol 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