MoCadb-logoMoCadb - Study ID Exp22792336a

PubMed ID22792336
AuthorsNishiumi S(1), Kobayashi T, Ikeda A, Yoshie T, Kibi M, Izumi Y, Okuno T, Hayashi N, Kawano S, Takenawa T, Azuma T, Yoshida M.
TitleA novel serum metabolomics-based diagnostic approach for colorectal cancer.
JournalPLoS One. 2012;7(7):e40459.
AbstractBACKGROUND: To improve the quality of life of colorectal cancer patients, it is important to establish new screening methods for early diagnosis of colorectal cancer. METHODOLOGY/PRINCIPAL FINDINGS: We performed serum metabolome analysis using gas-chromatography/mass-spectrometry (GC/MS). First, the accuracy of our GC/MS-based serum metabolomic analytical method was evaluated by calculating the RSD% values of serum levels of various metabolites. Second, the intra-day (morning, daytime, and night) and inter-day (among 3 days) variances of serum metabolite levels were examined. Then, serum metabolite levels were compared between colorectal cancer patients (N = 60; N = 12 for each stage from 0 to 4) and age- and sex-matched healthy volunteers (N = 60) as a training set. The metabolites whose levels displayed significant changes were subjected to multiple logistic regression analysis using the stepwise variable selection method, and a colorectal cancer prediction model was established. The prediction model was composed of 2-hydroxybutyrate, aspartic acid, kynurenine, and cystamine, and its AUC, sensitivity, specificity, and accuracy were 0.9097, 85.0%, 85.0%, and 85.0%, respectively, according to the training set data. In contrast, the sensitivity, specificity, and accuracy of CEA were 35.0%, 96.7%, and 65.8%, respectively, and those of CA19-9 were 16.7%, 100%, and 58.3%, respectively. The validity of the prediction model was confirmed using colorectal cancer patients (N = 59) and healthy volunteers (N = 63) as a validation set. At the validation set, the sensitivity, specificity, and accuracy of the prediction model were 83.1%, 81.0%, and 82.0%, respectively, and these values were almost the same as those obtained with the training set. In addition, the model displayed high sensitivity for detecting stage 0-2 colorectal cancer (82.8%). CONCLUSIONS/SIGNIFICANCE: Our prediction model established via GC/MS-based serum metabolomic analysis is valuable for early detection of colorectal cancer and has the potential to become a novel screening test for colorectal cancer.

Sample characteristics

SpeciesTissue / SourceCompartmentDiseaseNDetection methodSample
Homo sapiensbloodserumColorectal cancer (CRC) stage 0-4242GC/MSDem22792336a, Dem22792336d

Sample description and preparation

N (case)119
N (control)123
Disease (case)Colorectal cancer (CRC) stage 0-4
Disease (control)healthy

Sample analysis

Software thresholdP<0.05

Molecule list

Molecule IDextExternal IDNameSource accRegulation (case/control)Scores
CHEBI1148 11482-hydroxybutyric acid2-hydroxy-butyrateratio: 1.42
CHEBI5417 5417glucosamineGlucosamine_2ratio: 1.28
CHEBI5571 5571Gulono-1,4-lactoneGulcono-1,4-lactoneratio: 2.04
CHEBI10295 10295alpha-L-sorbopyranose?-sorbopyranose_1(or Fructose_1)ratio: 1.57
CHEBI15428 15428glycineGlycine(3TMS)ratio: 1.16
CHEBI15603 15603L-LeucineLeucineratio: 1.16
CHEBI15611 15611sarcosineSarcosineratio: 1.54
CHEBI15729 15729L-OrnithineN-?-acetyl-L-Ornithine_2ratio: 1.3
CHEBI15729 15729L-OrnithineOrnithineratio: 1.37
CHEBI15748 15748D-glucuronateGlucuronate_1ratio: 1.34
CHEBI15891 15891taurineTaurineratio: 3.43
CHEBI15963 15963D-ribitolRibitolratio: 1.42
CHEBI16000 16000ethanolamine2-aminoethanolratio: 1.13
CHEBI16015 16015L-Glutamic acidGlutamic acidratio: 1.94
CHEBI16016 16016dihydroxyacetoneDihydroxyacetoneratio: 1.23
CHEBI16070 160701,5-anhydro-D-glucitol1,5-anhydro-D-glucitolratio: 0.87
CHEBI16125 161251-Hexadecanol1-hexadecanolratio: 1.18
CHEBI16414 16414L-ValineValine(2TMS)ratio: 1.11
CHEBI16450 164502'-deoxyuridine2'-deoxyuridine_2ratio: 1.52
CHEBI16737 16737creatinineCreatinineratio: 0.9
CHEBI16946 16946L-KynurenineKynurenineratio: 1.83
CHEBI16958 16958beta-alanine?-Alanineratio: 1.3
CHEBI16988 16988D-RiboseRiboseratio: 0.71
CHEBI16995 16995Ethanedioic acidOxalateratio: 1.7
CHEBI17053 17053L-Aspartic acidAspartic acidratio: 1.68
CHEBI17113 17113erythritolmeso-erythritolratio: 2.01
CHEBI17115 17115L-SerineSerine(3TMS)ratio: 1.36
CHEBI17148 17148putrescinePutrescineratio: 0.87
CHEBI17151 17151XylitolXylitolratio: 1.36
CHEBI17173 17173D-RibuloseRibuloseratio: 0.71
CHEBI17191 17191L-IsoleucineIsoleucineratio: 1.35
CHEBI17196 17196AsparagineAsparagineratio: 1.17
CHEBI17203 17203L-ProlineProlineratio: 1.23
CHEBI17268 17268myo-inositolInositolratio: 1.19
CHEBI17295 17295L-phenylalaninePhenylalanineratio: 1.41
CHEBI17497 17497Glycol acidGlycolic acidratio: 1.13
CHEBI17535 17535L-ArabinoseArabinoseratio: 1.52
CHEBI17553 17553O-phosphoethanolamineO-phosphoethanolamineratio: 0.95
CHEBI17561 17561L-cysteineCysteine??ratio: 1.72
CHEBI17634 17634D-GlucoseGlucose_1ratio: 0.82
CHEBI17895 17895L-TyrosineTyrosineratio: 1.25
CHEBI17947 179475-Dehydroquinic acid5-dehydroquinic acidratio: 1.47
CHEBI18019 18019L-LysineN-?-acetyl-L-Lysine_2ratio: 1.68
CHEBI18095 18095trans-4-Hydroxy-L-prolinetrans-4-hydroxy-L-prolineratio: 1.15
CHEBI18183 181835-Oxo-L-prolinePyroglutamic acidratio: 1.35
CHEBI18211 18211citrullineCitrullineratio: 1.18
CHEBI18243 18243dopamineDopamineratio: 1.97
CHEBI18333 18333D-arabinitolArabitolratio: 1.35
CHEBI18367 18367PhosphatePhosphateratio: 1.16
CHEBI20067 200673-hydroxybutyric acid3-hydroxy-butyrateratio: 1.88
CHEBI22211 22211aconitic acidAconitateratio: 1.2
CHEBI27997 279979-Octadecenoic acidElaidic acidratio: 1.14
CHEBI28716 287169-Hexadecenoic acidPalmitoleateratio: 1.35
CHEBI28791 28791isoglutamic acid?-Glutamic acidratio: 1.13
CHEBI28837 28837Octanoic acidn-caprylic acidratio: 1.13
CHEBI29019 29019nonanoic acidNonanoic acid(C9)ratio: 0.78
CHEBI30763 307634-hydroxybenzoic acidp-hydroxybenzoic acidratio: 1.6
CHEBI30769 30769citric acidCitric acid Isocitric acidratio: 1.28
CHEBI30778 30778gallic acidGallic acidratio: 0.9
CHEBI30805 30805Lauric acidLauric acidratio: 1.25
CHEBI32365 32365Heptadecanoic acidHeptadecanoateratio: 1.33
CHEBI32398 32398D-glyceric acidGlyceric acidratio: 1.3
CHEBI32816 32816Pyruvic acidPyruvate??? acidratio: 1.44
CHEBI35932 359323-Methyl-2-oxopentanoic acidKetoisoleucine_1ratio: 1.17
CHEBI37684 37684mannoseMannose_1ratio: 1.52
CHEBI47693 47693D-tagatoseTagatose_2(or Psicose_2)ratio: 1.68
CHEBI48300 48300D-threitolThreitolratio: 1.35
CHEBI50263 50263Malic acidMalic acidratio: 1.37
CHEBI53455 53455D-XyloseXylose_2ratio: 1.33
CHEBI60312 60312galactosamineGalactosamine_1ratio: 1.57
CHEBI75323 75323lactitolLactitolratio: 4.35
CHEBI78320 783202-Hydroxypropanoic acidLactic acidratio: 0.78
CHEBI78757 78757cystamineCystamineratio: 1.34
CHEBI83981 839813-hydroxyaspartic acidThreo-?-hydroxyaspartic acidratio: 1.5
CHEBI545959 545959homovanillic acidMethoxy-4-hydroxyphenylacetateratio: 0.89

Compile date 10-20-2017© .