Table 1 Representative overlapping metabolites in human and mouse BALF and/or human and mouse plasma.

From: Metabolomic similarities between bronchoalveolar lavage fluid and plasma in humans and mice

Compound

Formula

Accession ID

Mouse BALF

Human BALF

Mouse Plasma

Human Plasma

Group & Derivatives

β-D-Galactose

C6 H12 O6

KEGG: C00962

X

X

  

Carbohydrates

2′-Deoxyguanosine 5′-monophosphate

C10 H14 N5 O7 P

KEGG: C00362

X

X

  

Purines

Deoxyguanosine

C10 H13 N5 O4

KEGG: C00330

X

X

  

Purines

Homocysteic acid

C4 H9 N O5 S

KEGG: C16511

X

X

  

Amino acids

Isopropyl β-D-glucoside

C9 H1 8O6

HMDB32705

X

X

  

Carbohydrates

Propionylcarnitine

C10 H19 N O4

KEGG: C03017

X

X

  

Carnitines

Uric acid

C5 H4 N4 O3

KEGG: C00366

X

X

  

Purines

Δ9-Tetrahydrocannabinol

C21 H30 O2

CAS: 1972-08-3

 

X

 

X

Benzopyrans

β-Tocopherol

C28 H48 O2

KEGG: C14152

  

X

X

Prenol lipids

16,17-Didehydroprogesterone

C21 H28 O2

KEGG: C03207

  

X

X

Sterol Lipids

Betaine*

C5 H11 N O2

HMDB00043

  

X

X

Amino acids

CL(76:7)

C86 H154 O17 P2

HMDB57006

  

X

X

Glycerophospholipids

Creatinine*

C4 H7 N3 O

HMDB00562

  

X

X

Amino acids

Dihydrothymine

C5 H8 N2 O2

HMDB00079

  

X

X

Pyrimidines

Glucose*

C6 H12 O6

HMDB03345

  

X

X

Carbohydrates

Histidine

C6 H9 N3 O2

HMDB00177

  

X

X

Amino acids

Inosine 2′,3′-cyclic phosphate

C10 H11 N4 O7 P

HMDB11680

  

X

X

Purines

PA(34:6)

C37 H61 O8 P

LMGP10010130

  

X

X

Glycerophospholipids

Palmitoylcarnitine

C23 H45 N O4

HMDB00222

  

X

X

Carnitines

PS(38:0)

C44 H86 N O10 P

LMGP03010705

  

X

X

Glycerophospholipids

Sorbitol

C6 H14 O6

KEGG: C00794

  

X

X

Carbohydrates

Taurine*

C2 H7 N O3 S

KEGG: C00245

  

X

X

Amino acids

(24R)-24-fluoro-1α,25-dihydroxyvitamin D2

C28 H43 F O3

LMST03010011

X

X

X

X

Sterol lipids

21-Deoxycortisol

C21 H30 O4

KEGG: C05497

X

X

X

X

Steroids

Acetylcarnitine*

C9 H18 N O4

HMDB00201

X

X

X

X

Carnitines

C16 Sphinganine

C16 H35 N O2

LMSP01040001

X

X

X

X

Sphingolipids

Carnitine*

C7 H16 N O3

HMDB00062

X

X

X

X

Carnitines

Ceramide (d18:1/18:0)*

C36 H71 N O3

KEGG: C00195

X

X

X

X

Sphingolipids

Cholesterol*

C27 H46 O

KEGG: C00187

X

X

X

X

Steroids

Choline*

C5 H14 N O

KEGG: C00114

X

X

X

X

Cholines

Creatine*

C4 H9 N3 O2

KEGG: C00300

X

X

X

X

Amino acids

DG(34:1)*

C37 H70 O5

LMGL02010307

X

X

X

X

Glycerolipids

Estradiol-17α

C18 H24 O2

LMST02010029

X

X

X

X

Steroids

Glycerol 1-stearate*

C21 H42 O4

CAS: 123-94-4

X

X

X

X

Monoacylglycerol

Hypoxanthine*

C5 H4 N4 O

KEGG: C00262

X

X

X

X

Purines

Leucine*

C6 H13 N O2

KEGG: C00123

X

X

X

X

Amino acids

Linoleyl alcohol*

C18 H34 O

CAS: 1577-52-2

X

X

X

X

Fatty alcohol

LysoPC(16:0)*

C24 H50 N O7 P

HMDB10382

X

X

X

X

Glycerophospholipids

LysoPE(18:0)*

C23 H48 N O7 P

LMGP02050001

X

X

X

X

Glycerophospholipids

MG(18:0)

C21 H42 O4

HMDB11131

X

X

X

X

Glycerolipids

PC(32:0)

C40 H80 N O8 P

HMDB08031

X

X

X

X

Glycerophospholipids

PE(36:4)

C41 H74 N O8 P

HMDB09418

X

X

X

X

Glycerophospholipids

PG(32:0)

C38 H75 O10 P

LMGP04010929

X

X

X

X

Glycerophospholipids

Phenylalanine*

C9 H11 N O2

KEGG: C00079

X

X

X

X

Amino acids

Tyrosine*

C9 H11 N O3

KEGG: C00082

X

X

X

X

Amino acids

  1. This list contains metabolites that were annotated using an in-house database comprised of METLIN, HMDB, Lipid Maps and KEGG. Metabolites were selected randomly from each of the various compound classes. Scores ≥70 out of a possible 100 and mass errors ≤10 ppm were used for annotation thresholds. *Confirmed annotations using tandem MS and matching fragments to reference standards using the NIST14 MSMS spectral database. CL: cardiolipin, DG: diglyceride, MG: monoglyceride, PA: phosphatidic acid, PC: phosphatidylcholine, PE: phosphatidylethanolamine, PG: phosphatidylglycerol, PS: phosphatidylserine.
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