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Table 2

Percentage differences (95% CIs) in 34 validated metabolites according to coffee consumption among participants from the NHS and NHSII*

HMDB IDMetaboliteSuper classScreening stage: total coffee per cup increaseValidation stage: total coffee per cup increasePooled samples: caffeinated coffee per cup increasePooled samples: decaffeinated coffee per cup increase
HMDB00875 Trigonelline Alkaloids and derivatives 43.5 (38.8, 48.4) 46.4 (41.0, 52.0) 43.4 (39.3, 47.5) 17.6 (12.2, 23.3) 
HMDB04400 AAMU Organic nitrogen compounds 22.9 (18.1, 27.8) 22.5 (17.1, 28.2) 33.5 (29.4, 37.7) −9.0 (−13.3, −4.5) 
HMDB11621 Cinnamoylglycine Organic acids and derivatives 20.4 (15.8, 25.2) 17.2 (12.0, 22.6) 17.0 (13.3, 20.9) 10.4 (5.3, 15.8) 
HMDB11103 1,7-dimethyluric acid Organoheterocyclic compounds 18.1 (13.4, 22.9) 20.4 (15.0, 26.0) 32.3 (28.3, 36.5) −14.1 (−18.1, −9.9) 
HMDB01847 Caffeine Organoheterocyclic compounds 16.6 (12.1, 21.3) 17.2 (12.0, 22.5) 28.0 (24.1, 32.0) −11.8 (−15.8, −7.6) 
HMDB00779 Phenyllactic acid Phenylpropanoids and polyketides 14.6 (9.9, 19.6) 13.8 (8.5, 19.4) 11.3 (7.5, 15.3) 11.0 (5.6, 16.7) 
HMDB13678 4-hydroxyhippuric acid Benzenoids 14.2 (9.5, 19.2) 16.5 (11.1, 22.2) 13.5 (9.7, 17.5) 9.3 (4.0, 14.9) 
HMDB00630 Cytosine Organoheterocyclic compounds 11.4 (7.0, 16.0) 11.0 (6.0, 16.4) 12.3 (8.7, 16.1) 2.2 (−2.5, 7.3) 
HMDB01991 7-methylxanthine Organoheterocyclic compounds 10.6 (6.0, 15.4) 10.5 (5.4, 15.8) 15.3 (11.5, 19.3) −4.3 (−8.9, 0.5) 
HMDB00062 l-carnitine Organic nitrogen compounds 6.3 (2.0, 10.7) 5.3 (0.2, 10.7) 6.6 (2.9, 10.3) 2.3 (−2.7, 7.4) 
HMDB06726 C20:4 CE Lipids and lipid-like molecules 6.2 (1.9, 10.6) 5.2 (0.3, 10.5) 4.5 (1.0, 8.1) 4.4 (−0.6, 9.6) 
HMDB00918 C18:1 CE Lipids and lipid-like molecules 6.1 (2.1, 10.3) 9.2 (4.4, 14.4) 5.3 (2.0, 8.8) 6.0 (1.2, 11.0) 
HMDB00610 C18:2 CE Lipids and lipid-like molecules 6.0 (2.0, 10.2) 10.7 (6.0, 15.7) 5.6 (2.3, 9.0) 7.5 (2.7, 12.4) 
HMDB05377 C50:2 TAG Lipids and lipid-like molecules −5.3 (−8.8, −1.6) −6.9 (−10.8, −2.8) −4.4 (−7.3, −1.3) −5.8 (−9.9, −1.5) 
HMDB07102 C34:1 DAG Lipids and lipid-like molecules −5.5 (−9.1, −1.8) −7.4 (−11.4, −3.3) −5.9 (−8.8, −2.9) −4.0 (−8.2, 0.4) 
HMDB10497 C50:6 TAG Lipids and lipid-like molecules −5.5 (−9.3, −1.7) −7.0 (−11.2, −2.6) −6.1 (−9.1, −2.9) −2.3 (−6.8, 2.5) 
HMDB10513 C56:10 TAG Lipids and lipid-like molecules −5.6 (−9.3, −1.7) −6.2 (−10.6, −1.6) −6.9 (−9.9, −3.7) 0.3 (−4.3, 5.2) 
HMDB10471 C50:5 TAG Lipids and lipid-like molecules −5.7 (−9.4, −1.9) −7.2 (−11.3, −2.9) −6.1 (−9.1, −3.0) −2.8 (−7.3, 1.8) 
HMDB05433 C50:3 TAG Lipids and lipid-like molecules −5.7 (−9.3, −1.9) −5.6 (−9.7, −1.4) −4.6 (−7.6, −1.5) −4.7 (−9.0, −0.3) 
HMDB05369 C52:2 TAG Lipids and lipid-like molecules −5.8 (−9.4, −2.1) −7.0 (−11.0, −2.8) −5.1 (−8.1, −2.1) −5.6 (−9.7, −1.2) 
HMDB10498 C54:9 TAG Lipids and lipid-like molecules −5.8 (−9.5, −1.9) −7.5 (−11.9, −2.9) −7.6 (−10.7, −4.4) 0.3 (−4.5, 5.2) 
HMDB11526 C22:6 LPE Lipids and lipid-like molecules −5.8 (−9.5, −2.0) −4.7 (−9.1, −0.1) −3.4 (−6.5, −0.2) −5.5 (−9.9, −1.0) 
HMDB07218 C36:2 DAG Lipids and lipid-like molecules −5.9 (−9.5, −2.2) −6.0 (−10.1, −1.7) −5.3 (−8.2, −2.2) −4.1 (−8.4, 0.4) 
HMDB05435 C50:4 TAG Lipids and lipid-like molecules −6.0 (−9.7, −2.2) −5.7 (−9.9, −1.3) −5.4 (−8.5, −2.3) −3.3 (−7.8, 1.3) 
HMDB05448 C56:9 TAG Lipids and lipid-like molecules −6.2 (−9.8, −2.4) −5.5 (−9.8, −1.0) −6.6 (−9.6, −3.4) −0.6 (−5.1, 4.2) 
HMDB07103 C34:2 DAG Lipids and lipid-like molecules −6.6 (−10.2, −3.0) −7.7 (−11.6, −3.5) −6.7 (−9.6, −3.7) −4.1 (−8.4, 0.4) 
HMDB07219 C36:3 DAG Lipids and lipid-like molecules −6.6 (−10.2, −2.7) −5.7 (−10.0, −1.2) −6.4 (−9.4, −3.2) −2.4 (−6.9, 2.3) 
HMDB02183 DHA Lipids and lipid-like molecules −6.6 (−10.1, −3.0) −4.6 (−8.8, −0.2) −5.5 (−8.4, −2.5) −2.5 (−6.7, 2.0) 
HMDB05384 C52:3 TAG Lipids and lipid-like molecules −6.7 (−10.4, −2.9) −6.2 (−10.4, −1.8) −5.7 (−8.8, −2.5) −4.9 (−9.3, −0.3) 
HMDB05380 C52:5 TAG Lipids and lipid-like molecules −6.8 (−10.5, −2.9) −5.3 (−9.6, −0.8) −6.4 (−9.5, −3.2) −2.1 (−6.6, 2.7) 
HMDB07132 C34:3 DAG Lipids and lipid-like molecules −7.2 (−10.8, −3.4) −7.3 (−11.5, −3.0) −7.1 (−10.1, −4.0) −3.5 (−7.9, 1.1) 
HMDB10517 C52:7 TAG Lipids and lipid-like molecules −7.5 (−11.1, −3.7) −7.4 (−11.5, −3.1) −7.7 (−10.6, −4.6) −2.0 (−6.5, 2.6) 
HMDB10518 C54:8 TAG Lipids and lipid-like molecules −7.6 (−11.3, −3.8) −6.9 (−11.1, −2.4) −7.8 (−10.8, −4.7) −1.4 (−6.0, 3.4) 
HMDB05436 C52:6 TAG Lipids and lipid-like molecules −8.3 (−11.8, −4.5) −7.1 (−11.2, −2.7) −7.9 (−10.9, −4.9) −2.5 (−6.9, 2.2) 
HMDB IDMetaboliteSuper classScreening stage: total coffee per cup increaseValidation stage: total coffee per cup increasePooled samples: caffeinated coffee per cup increasePooled samples: decaffeinated coffee per cup increase
HMDB00875 Trigonelline Alkaloids and derivatives 43.5 (38.8, 48.4) 46.4 (41.0, 52.0) 43.4 (39.3, 47.5) 17.6 (12.2, 23.3) 
HMDB04400 AAMU Organic nitrogen compounds 22.9 (18.1, 27.8) 22.5 (17.1, 28.2) 33.5 (29.4, 37.7) −9.0 (−13.3, −4.5) 
HMDB11621 Cinnamoylglycine Organic acids and derivatives 20.4 (15.8, 25.2) 17.2 (12.0, 22.6) 17.0 (13.3, 20.9) 10.4 (5.3, 15.8) 
HMDB11103 1,7-dimethyluric acid Organoheterocyclic compounds 18.1 (13.4, 22.9) 20.4 (15.0, 26.0) 32.3 (28.3, 36.5) −14.1 (−18.1, −9.9) 
HMDB01847 Caffeine Organoheterocyclic compounds 16.6 (12.1, 21.3) 17.2 (12.0, 22.5) 28.0 (24.1, 32.0) −11.8 (−15.8, −7.6) 
HMDB00779 Phenyllactic acid Phenylpropanoids and polyketides 14.6 (9.9, 19.6) 13.8 (8.5, 19.4) 11.3 (7.5, 15.3) 11.0 (5.6, 16.7) 
HMDB13678 4-hydroxyhippuric acid Benzenoids 14.2 (9.5, 19.2) 16.5 (11.1, 22.2) 13.5 (9.7, 17.5) 9.3 (4.0, 14.9) 
HMDB00630 Cytosine Organoheterocyclic compounds 11.4 (7.0, 16.0) 11.0 (6.0, 16.4) 12.3 (8.7, 16.1) 2.2 (−2.5, 7.3) 
HMDB01991 7-methylxanthine Organoheterocyclic compounds 10.6 (6.0, 15.4) 10.5 (5.4, 15.8) 15.3 (11.5, 19.3) −4.3 (−8.9, 0.5) 
HMDB00062 l-carnitine Organic nitrogen compounds 6.3 (2.0, 10.7) 5.3 (0.2, 10.7) 6.6 (2.9, 10.3) 2.3 (−2.7, 7.4) 
HMDB06726 C20:4 CE Lipids and lipid-like molecules 6.2 (1.9, 10.6) 5.2 (0.3, 10.5) 4.5 (1.0, 8.1) 4.4 (−0.6, 9.6) 
HMDB00918 C18:1 CE Lipids and lipid-like molecules 6.1 (2.1, 10.3) 9.2 (4.4, 14.4) 5.3 (2.0, 8.8) 6.0 (1.2, 11.0) 
HMDB00610 C18:2 CE Lipids and lipid-like molecules 6.0 (2.0, 10.2) 10.7 (6.0, 15.7) 5.6 (2.3, 9.0) 7.5 (2.7, 12.4) 
HMDB05377 C50:2 TAG Lipids and lipid-like molecules −5.3 (−8.8, −1.6) −6.9 (−10.8, −2.8) −4.4 (−7.3, −1.3) −5.8 (−9.9, −1.5) 
HMDB07102 C34:1 DAG Lipids and lipid-like molecules −5.5 (−9.1, −1.8) −7.4 (−11.4, −3.3) −5.9 (−8.8, −2.9) −4.0 (−8.2, 0.4) 
HMDB10497 C50:6 TAG Lipids and lipid-like molecules −5.5 (−9.3, −1.7) −7.0 (−11.2, −2.6) −6.1 (−9.1, −2.9) −2.3 (−6.8, 2.5) 
HMDB10513 C56:10 TAG Lipids and lipid-like molecules −5.6 (−9.3, −1.7) −6.2 (−10.6, −1.6) −6.9 (−9.9, −3.7) 0.3 (−4.3, 5.2) 
HMDB10471 C50:5 TAG Lipids and lipid-like molecules −5.7 (−9.4, −1.9) −7.2 (−11.3, −2.9) −6.1 (−9.1, −3.0) −2.8 (−7.3, 1.8) 
HMDB05433 C50:3 TAG Lipids and lipid-like molecules −5.7 (−9.3, −1.9) −5.6 (−9.7, −1.4) −4.6 (−7.6, −1.5) −4.7 (−9.0, −0.3) 
HMDB05369 C52:2 TAG Lipids and lipid-like molecules −5.8 (−9.4, −2.1) −7.0 (−11.0, −2.8) −5.1 (−8.1, −2.1) −5.6 (−9.7, −1.2) 
HMDB10498 C54:9 TAG Lipids and lipid-like molecules −5.8 (−9.5, −1.9) −7.5 (−11.9, −2.9) −7.6 (−10.7, −4.4) 0.3 (−4.5, 5.2) 
HMDB11526 C22:6 LPE Lipids and lipid-like molecules −5.8 (−9.5, −2.0) −4.7 (−9.1, −0.1) −3.4 (−6.5, −0.2) −5.5 (−9.9, −1.0) 
HMDB07218 C36:2 DAG Lipids and lipid-like molecules −5.9 (−9.5, −2.2) −6.0 (−10.1, −1.7) −5.3 (−8.2, −2.2) −4.1 (−8.4, 0.4) 
HMDB05435 C50:4 TAG Lipids and lipid-like molecules −6.0 (−9.7, −2.2) −5.7 (−9.9, −1.3) −5.4 (−8.5, −2.3) −3.3 (−7.8, 1.3) 
HMDB05448 C56:9 TAG Lipids and lipid-like molecules −6.2 (−9.8, −2.4) −5.5 (−9.8, −1.0) −6.6 (−9.6, −3.4) −0.6 (−5.1, 4.2) 
HMDB07103 C34:2 DAG Lipids and lipid-like molecules −6.6 (−10.2, −3.0) −7.7 (−11.6, −3.5) −6.7 (−9.6, −3.7) −4.1 (−8.4, 0.4) 
HMDB07219 C36:3 DAG Lipids and lipid-like molecules −6.6 (−10.2, −2.7) −5.7 (−10.0, −1.2) −6.4 (−9.4, −3.2) −2.4 (−6.9, 2.3) 
HMDB02183 DHA Lipids and lipid-like molecules −6.6 (−10.1, −3.0) −4.6 (−8.8, −0.2) −5.5 (−8.4, −2.5) −2.5 (−6.7, 2.0) 
HMDB05384 C52:3 TAG Lipids and lipid-like molecules −6.7 (−10.4, −2.9) −6.2 (−10.4, −1.8) −5.7 (−8.8, −2.5) −4.9 (−9.3, −0.3) 
HMDB05380 C52:5 TAG Lipids and lipid-like molecules −6.8 (−10.5, −2.9) −5.3 (−9.6, −0.8) −6.4 (−9.5, −3.2) −2.1 (−6.6, 2.7) 
HMDB07132 C34:3 DAG Lipids and lipid-like molecules −7.2 (−10.8, −3.4) −7.3 (−11.5, −3.0) −7.1 (−10.1, −4.0) −3.5 (−7.9, 1.1) 
HMDB10517 C52:7 TAG Lipids and lipid-like molecules −7.5 (−11.1, −3.7) −7.4 (−11.5, −3.1) −7.7 (−10.6, −4.6) −2.0 (−6.5, 2.6) 
HMDB10518 C54:8 TAG Lipids and lipid-like molecules −7.6 (−11.3, −3.8) −6.9 (−11.1, −2.4) −7.8 (−10.8, −4.7) −1.4 (−6.0, 3.4) 
HMDB05436 C52:6 TAG Lipids and lipid-like molecules −8.3 (−11.8, −4.5) −7.1 (−11.2, −2.7) −7.9 (−10.9, −4.9) −2.5 (−6.9, 2.2) 

DHA, docosahexaenoic acid; HMDB ID, Human Metabolome Database identifier.

*

Multivariate linear regression analysis was conducted to adjust for age at blood draw (continuous), fasting status (yes, no), race (White, non-White), study cohort, case-control status, cumulative average levels of BMI (<23.0, 23.0–24.9, 25.0–27.4, 27.5–29.9, ≥30.0 kg/m2), physical activity (<3.0, 3.0–8.9, 9.0–17.9, 18.0–26.9, ≥27.0 MET h/week), alcohol consumption (0, 0.1–4.9, 5.0–9.9, 10.0–14.9, ≥15.0 g/day), smoking status (never smoker; past smoker, <30 pack-years; past smoker, ≥30 pack-years; current smoker, <30 pack-years; current smoker, ≥30 pack-years), whole grains (quintiles), fruits (quintiles), vegetables (quintiles), polyunsaturated fat–to–saturated fat ratio (quintiles), fish (quintiles), red meat (quintiles), sugar-sweetened beverages (quintiles), total energy intake (quintiles), regular multivitamin use (yes, no), regular aspirin/nonsteroidal anti-inflammatory drug use (yes, no), hypertension (yes, no), hypercholesterolemia (yes, no), menopausal status (premenopausal, postmenopausal, unknown), and menopausal hormone therapy (never, past, current use).

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