Clustering data with hclust algorithm for Type 1 Diabetes good glycemic control and controls samples (Study ST000422)

Reversed phase NEGATIVE ION MODE (Analysis AN000670)
MetaboliteStructureF1F2
5Z,11Z,14Z-eicosatrienoic acidME1486410.002.00
a-hydroxyisovalerateME1483080.151.85
O-DesmethylnaproxenME1482950.181.82
2-HydroxyethinylestradiolME1484651.300.70
HistidineME1482071.300.70
D-GlucoseME1483211.250.75
HomoarginineME1487781.270.73
Pyruvic acidME1482551.270.73
LactateME1487391.430.57
beta-AlanineME1487341.380.62
PhensuximideME1483971.340.66
SedoheptuloseME1487891.720.28
glyceraldehydeME1487741.540.46
13E,17-octadecadienoic acid - 13.561291ME1486251.500.50
Gulonic acidME1487291.510.49
desmethylnortriptyline glucuronideME1485311.620.38
2-propyl-tridecanoic acid - 14.1904745ME1486991.590.41
desethyletomidateME1487771.580.42
5-octadecylenic acidME1486840.531.47
D-Phenyllactic acidME1483790.521.48
BilirubinME1487180.521.48
2-methyl-tridecanedioic acidME1484340.521.48
4,7,10,13-docosatetraenoic acidME1486520.521.48
18-hydroxy-9S,10R-epoxy-stearic acidME1485360.551.45
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid - 13.006597ME1485860.551.45
Embelin - 13.56923ME1486150.541.46
TeasteroneME1486580.541.46
4,7,10,13,16-docosapentaenoic acid - 13.672926ME1486370.581.42
10-hydroxy capric acidME1484240.571.43
Dodecanedioic acidME1484160.571.43
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholeME1486360.561.44
CastasteroneME1486390.561.44
LeucineME1482910.601.40
Arg Phe Arg - 10.657936ME1485060.601.40
7-palmitoleic acidME1485970.601.40
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerolME1486280.601.40
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfateME1483830.601.40
3R-hydroxy-octanoic acidME1483890.591.41
12-methyl-10-oxo-tridecanoic acidME1485090.591.41
3-methyl-nonanoic acidME1484950.591.41
Phe Pro ArgME1486960.631.37
GuaiacolME1483420.631.37
10-methyl-heptadecanoic acidME1487130.631.37
7-hydroxy Tetranor IloprostME1484700.631.37
Penicillin GME1482860.621.38
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxyME1485740.621.38
Glycoursodeoxycholic acid - 8.816427ME1487790.621.38
4,7,10,13,16-docosapentaenoic acidME1486040.671.33
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferol - 14.2783ME1487960.641.36
Arg Asn GlnME1486180.651.35
5-methyl-2E-tridecenoic acidME1485640.651.35
4^-Apo-3,4-didehydrolycopene/ (4-Apo-3^,4^-didehydrolycopene)ME1485780.651.35
3-MethylindoleME1483840.651.35
10-methyl-hexadecanoic acid - 14.706145ME1487140.651.35
2,4-DINITROPHENOLME1483910.651.35
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerolME1487100.661.34
Panaxytriol - 11.984834ME1487560.661.34
2-Hydroxyethinylestradiol - 14.242135ME1486870.481.52
alpha-hydroxyisobutyrateME1482940.481.52
9,12,14-octadecatrienoic acidME1485800.451.55
9R-hydroxy-12E-octadecenoic acid - 11.299293ME1485420.451.55
14-methyl-8E-hexadecenoic acidME1486430.471.53
OSTHOLME1483260.461.54
D1-2-Hydroxymethylethisterone - 14.2670965ME1486910.461.54
Isoacitretin - 14.245813ME1486900.461.54
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 / (22S)-1alpha,22,2ME1487570.391.61
2-Hydroxyethinylestradiol - 13.500651ME1486080.381.62
D1-2-Hydroxymethylethisterone - 13.49303ME1486070.411.59
3-Methylsuberic acidME1483740.411.59
alpha-hydroxyisobutyrate - 2.2955024ME1482990.411.59
3-Methyl-2-oxovaleric acid - 5.345492ME1483730.441.56
Glycolaldehyde - 0.89615333ME1487320.431.57
13E,17-octadecadienoic acidME1486090.431.57
9R-hydroxy-12E-octadecenoic acidME1485290.431.57
m-Salicylic acidME1483770.251.75
O-Desmethylnaproxen - 2.3228056ME1483000.311.69
5,11-Eicosadienoic acidME1487010.341.66
Phenol - 5.4432707ME1483780.331.67
Thr Met ArgME1484000.841.16
gamma-Hydroxyphenylbutazone glucuronideME1484530.841.16
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferol - 14.59837ME1487070.841.16
Embelin - 14.221526ME1486860.841.16
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14.246315ME1486980.831.17
Stearic acid - 13.633164ME1486310.831.17
Isoquinoline N-oxideME1483820.831.17
2-propyl-tridecanoic acid - 14.700806ME1487110.831.17
9R-hydroxy-12E-octadecenoic acid - 12.186865ME1485660.831.17
Pregnanolone sulfateME1484090.851.15
Parahydroxyphenylacetic acidME1483430.851.15
MethionineME1482820.851.15
Hippuric acidME1483380.851.15
3-hydroxy-hexadecanoic acidME1485730.851.15
Embelin - 13.117974ME1485890.851.15
DL-12-hydroxy stearic acid - 12.187582ME1485650.861.14
DL-12-hydroxy stearic acidME1485620.861.14
3R-hydroxy-octanoic acid - 7.0250587ME1484070.861.14
a-hydroxybutyrateME1487460.861.14
D-HomoserineME1487310.921.08
Pyroglutamic acidME1482730.921.08
9R-hydroxy-12E-octadecenoic acid - 12.434561ME1485700.901.10
10-hydroxy capric acid - 8.75243ME1484320.901.10
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-ME1487930.901.10
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide - 10.158998ME1484810.911.09
5beta-Androstan-3alpha-ol-17-one sulfate - 7.3562913ME1484110.911.09
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acidME1483070.911.09
1,2-Glyceryl dinitrate glucuronideME1482870.911.09
2-Hydroxyethinylestradiol - 10.202765ME1487530.911.09
TyrosineME1487450.891.11
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acidME1484150.891.11
Murocholic acidME1484780.891.11
Stearic acidME1485520.881.12
N-AcetylarylamineME1482770.881.12
1-[[2-(2,3-dihydro-2-oxo-1H-indol-4-yl)ethyl]propylcarbamate] glucuronideME1484120.881.12
Embelin - 13.381417ME1485990.881.12
UridineME1482840.871.13
6-Hydroxynicotinic acidME1483860.871.13
Desmosine - 14.067394ME1486550.871.13
Tyr Arg LeuME1484690.801.20
ISOPIMPINELLINME1483800.801.20
5beta-Androstan-3alpha-ol-17-one sulfate - 7.7987556ME1484170.801.20
Acetoacetic acidME1482490.801.20
DesmosineME1484970.821.18
Isopentadecylic acidME1486060.811.19
3-hydroxy-hexadecanoic acid - 12.85509ME1485820.811.19
Isoarachidic acidME1487060.811.19
GlycolaldehydeME1482930.791.21
Dihydroxyacetone (glycerone)ME1482440.791.21
9,12,14-octadecatrienoic acid - 12.907056ME1485850.791.21
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole - 13.655915ME1487580.791.21
5beta-Androstan-3alpha-ol-17-one sulfate - 7.1633453ME1484080.791.21
Testosterone sulfateME1484020.781.22
Pregnenolone sulfateME1484180.781.22
Embelin - 14.70403ME1487150.781.22
3alpha,4beta-dihydroxy-5beta-cholan-24-oic AcidME1485830.781.22
4,8-dimethyl-dodecanoic acidME1485900.781.22
Pyrocatechol sulfateME1483100.761.24
MethylglyoxalME1482480.771.23
Lauric acidME1485570.771.23
Hexacosanedioic acidME1487040.771.23
2-propyl-tridecanoic acidME1486270.771.23
Gemfibrozil M2ME1485410.771.23
Isopentadecylic acid - 13.64712ME1486350.701.30
5beta-Androstan-3alpha-ol-17-one sulfateME1483870.701.30
7-palmitoleic acid - 13.36762ME1486030.701.30
Hexadecanedioic acidME1484790.681.32
2-propyl-tridecanoic acid - 14.184761ME1486690.681.32
17a-Ethynylestradiol 16-glucuronideME1484010.681.32
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole - 13.823613ME1486440.681.32
Gln Trp GlnME1484580.691.31
BUTACAINEME1486290.691.31
4Z,7Z,10Z,13Z-eicosatetraenoic acidME1486020.691.31
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy - 13.625875ME1486340.691.31
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acidME1485760.691.31
Loroxanthin ester/ Loroxanthin dodecenoateME1487120.711.29
10-methyl-hexadecanoic acidME1487030.711.29
DL-3-hydroxy caproic acidME1483540.711.29
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14.702043ME1487170.721.28
Glycoursodeoxycholic acidME1484300.721.28
Biliverdin IXME1484450.721.28
2-Hydroxyethinylestradiol - 14.172573ME1486660.721.28
3,9,15-Docosatriynoic acidME1485870.721.28
D1-2-Hydroxymethylethisterone - 14.157091ME1486610.751.25
PyrocatecholME1483090.751.25
TetrahydrofuranME1483240.731.27
3beta,4beta-Dihydroxy-5beta-cholan-24-oic AcidME1485770.731.27
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME1485350.731.27
Ile Trp TyrME1483990.741.26
MonensinME1486720.741.26
Glu Tyr Thr - 10.902022ME1485231.200.80
Glycolic acidME1482501.200.80
4-Hydroxybenzenesulfonic acidME1483291.160.84
PhenolME1483281.150.85
D1-2-Hydroxymethylethisterone - 11.361438ME1485461.140.86
Indoxylsulfuric acidME1483361.140.86
p-HYDROXYCINNAMALDEHYDEME1487471.120.88
1-Hydroxy-2-naphthoic acidME1487421.130.87
Uric acidME1482711.130.87
SulfateME1487331.070.93
DL-13-hydroxy stearic acidME1485591.060.94
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acidME1481461.060.94
Chloral hydrateME1482101.060.94
PanaxytriolME1485611.050.95
Ellagic acidME1481331.050.95
Dihydroxyacetone (glycerone) - 1.1726536ME1482811.050.95
D1-2-Hydroxymethylethisterone - 11.482383ME1485491.050.95
clavulone IME1485041.050.95
Benzyl alcoholME1483471.050.95
2-Hydroxyethinylestradiol - 10.039457ME1484741.050.95
Arg Phe ArgME1484921.050.95
Methyl jasmonateME1484441.040.96
Leucine - 2.2892022ME1483011.040.96
B-ureidoisobutyric acidME1482331.040.96
Gemfibrozil M2 - 11.328346ME1485471.040.96
2,3-Dihydroxybenzoic acidME1483401.090.91
Embelin - 14.03012ME1486741.090.91
Glucoheptonic acidME1487481.080.92
D1-2-Hydroxymethylethisterone - 11.059013ME1485251.080.92
D1-2-Hydroxymethylethisterone - 11.317418ME1485441.080.92
ProlineME1482621.100.90
TRIDESACETOXYKHIVORINME1485331.110.89
Glu Tyr ThrME1485031.110.89
IsoleucineME1482961.110.89
Arg Ala PheME1486760.931.07
thyrotropin releasing hormoneME1484420.941.06
3-Methyl-2-oxovaleric acidME1483220.941.06
5-MethoxyindoleacetateME1483710.941.06
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME1486600.951.05
Met His LysME1483880.951.05
Lys Trp ArgME1485790.951.05
CreatinineME1482600.951.05
15,16-epoxy-13-OH-9Z,11E-octadecadienoic acidME1484800.951.05
3-Methyl-2-oxovaleric acid - 3.878426ME1483300.951.05
clavulone I - 10.785447ME1485130.961.04
PurineME1482590.961.04
Sodium tetradecyl sulfateME1485170.971.03
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferolME1486750.971.03
Isoacitretin - 10.62412ME1485050.971.03
TryptophanME1483140.981.02
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamineME1483370.981.02
KOBUSONEME1484400.981.02
Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)ME1484990.981.02
Embelin - 9.613076ME1484550.981.02
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1)ME1484560.981.02
CITROPTENME1482410.981.02
Stearic acid - 14.151329ME1486650.991.01
Phe Arg SerME1483920.991.01
Isoacitretin - 10.732019ME1485120.991.01
EmbelinME1484380.991.01
D1-2-HydroxymethylethisteroneME1485190.991.01
D1-2-Hydroxymethylethisterone - 11.200728ME1485340.991.01
Pyrocatechol - 4.3859496ME1483391.010.99
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoateME1484861.010.99
KOBUSONE - 11.034212ME1485261.010.99
Isoacitretin - 10.902054ME1485221.010.99
docusateME1485151.010.99
2-amino-4^-hydroxy-PropiophenoneME1483051.010.99
clavulone I - 10.858965ME1485211.010.99
ValineME1482671.001.00
ProcarbazineME1484391.001.00
O-BENZYL-l-SERINEME1484571.001.00
9R-hydroxy-12E-octadecenoic acid - 12.346562ME1485681.001.00
2-Hydroxyethinylestradiol - 10.153285ME1484851.001.00
3-Methylpimelic acidME1483641.001.00
Pyruvic acid - 1.1770045ME1482831.020.98
L-NorleucineME1487911.020.98
Isoacitretin - 10.798786ME1485161.020.98
9R-hydroxy-12E-octadecenoic acid - 12.092731ME1485631.020.98
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide - 10.311113ME1484881.020.98
3-Methylsuberic acid - 5.7497506ME1483811.020.98
3-methyl-heptanoic acidME1484331.020.98
2-Hydroxyethinylestradiol - 10.31158ME1484891.020.98
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONEME1484251.020.98
PROTOVERATRINE BME1482291.030.97
NIMUSTINEME1483111.030.97
Methylglyoxal - 1.1846838ME1482851.030.97
Leu Tyr MetME1483951.030.97
IsoacitretinME1484911.030.97
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonideME1484731.030.97
IndoleME1483151.030.97

Factors:

F1treatment:ND
F2treatment:T1D good glycemic control
Data matrix
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