Clustering data with hclust algorithm for Murine bile acid profiles during CDI R20291 infection (Study ST000735)
Reversed phase NEGATIVE ION MODE (Analysis AN001149)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HYODEOXYCHOLIC ACID | ME204805 | 0.03 | 0.03 | 0.02 | 0.04 | 0.02 | 0.04 | 1.05 | 2.97 | 1.33 | 1.46 | 1.13 | 0.11 | NA | 1.70 | 0.02 | 0.01 | 0.02 | 0.06 | 0.04 | 0.04 | 4.45 | 1.72 | 0.08 | 13.08 | NA | NA | 1.53 | NA | 0.53 | NA | NA | NA | NA |
| DEOXYCHOLIC ACID | ME204799 | 0.05 | 0.00 | 0.06 | 0.19 | 0.11 | 0.12 | 0.15 | 0.39 | 0.06 | 3.87 | 0.21 | 0.12 | 0.04 | 5.81 | 0.03 | 0.06 | 0.09 | 0.22 | 0.15 | 0.12 | 0.21 | 0.17 | 0.23 | 5.03 | 0.03 | 0.06 | 1.47 | 0.21 | 1.19 | 0.04 | 0.08 | 6.10 | 0.39 |
| LITHOCHOLIC ACID | ME204812 | NA | NA | NA | NA | 0.31 | 0.20 | 0.44 | 0.68 | 0.44 | 1.26 | 0.21 | 0.24 | NA | 4.58 | 0.28 | NA | NA | NA | NA | NA | 0.79 | 0.33 | NA | 4.33 | NA | NA | 1.12 | 0.31 | 1.16 | 0.13 | 0.24 | 1.30 | 0.35 |
| ALPHA-MURICHOLIC ACID | ME204807 | 0.01 | 0.01 | 0.01 | 0.09 | 0.01 | 0.13 | 2.71 | 1.48 | 4.70 | 5.73 | 0.80 | 0.28 | 0.01 | 1.50 | 0.02 | 0.01 | 0.02 | 0.01 | 0.07 | 1.65 | 1.92 | 4.47 | 0.08 | 3.03 | 4.45 | 0.01 | 0.44 | 0.03 | 2.99 | 0.06 | 0.53 | 0.28 | 0.45 |
| BETA-MURICHOLIC ACID | ME204808 | 0.00 | 0.00 | 0.00 | 0.17 | 0.00 | 0.16 | 3.15 | 1.77 | 4.32 | 3.18 | 1.00 | 0.57 | 0.00 | 0.79 | 0.00 | 0.00 | 0.02 | 0.02 | 0.10 | 1.71 | 2.55 | 5.06 | 0.14 | 2.02 | 2.85 | 0.00 | 0.25 | 0.00 | 2.42 | 0.06 | 0.85 | 1.14 | 0.87 |
| CHOLIC ACID | ME204798 | 0.00 | 0.00 | 0.00 | 0.28 | 0.06 | 0.65 | 4.19 | 2.41 | 5.27 | 4.11 | 1.37 | 0.55 | 0.00 | 0.12 | 0.00 | 0.00 | 0.07 | 0.10 | 0.53 | 1.88 | 2.60 | 5.23 | 0.25 | 1.73 | 2.79 | 0.00 | 0.02 | 0.00 | 1.19 | 0.43 | 0.97 | 0.48 | 0.73 |
| URSODEOXYCHOLIC ACID | ME204802 | NA | NA | NA | 0.13 | NA | 0.09 | 0.72 | 3.85 | 0.98 | 2.12 | 0.76 | 0.22 | NA | 1.30 | NA | NA | NA | 0.10 | 0.11 | 0.42 | 2.94 | 2.23 | 0.19 | 5.14 | 1.04 | NA | NA | NA | 1.21 | 0.09 | 0.33 | 0.27 | 0.44 |
| GLYCOCHENODEOXYCHOLIC ACID | ME204795 | 0.77 | 0.80 | 0.77 | 0.47 | 0.60 | 0.99 | 1.07 | 2.66 | 2.25 | 1.92 | 1.30 | 0.58 | 0.52 | 0.47 | 0.60 | 0.38 | 0.44 | 0.60 | 1.15 | 0.82 | 1.17 | 2.89 | 0.87 | 0.98 | 0.77 | 0.54 | 0.85 | 0.90 | 1.11 | 0.81 | 1.15 | 0.90 | 1.08 |
| CHENODEOXYCHOLIC ACID | ME204790 | NA | NA | NA | NA | NA | NA | 0.73 | 0.72 | 0.56 | 3.70 | 0.65 | 0.43 | NA | NA | 0.02 | NA | NA | NA | NA | 1.05 | 1.05 | 3.60 | 0.06 | 2.35 | 1.28 | NA | NA | NA | 1.60 | 0.03 | 0.59 | 0.05 | 0.64 |
| OMEGA-MURICHOLIC ACID | ME204806 | NA | NA | NA | NA | NA | NA | 0.51 | 0.09 | 0.83 | 2.12 | 0.26 | 0.11 | NA | 1.88 | NA | NA | NA | NA | NA | 1.43 | 0.45 | 0.85 | NA | 1.41 | 2.17 | NA | 2.14 | NA | 1.71 | 0.02 | 0.63 | 0.71 | 0.47 |
| TAURO-ALPHA-MURICHOLIC ACID | ME204792 | 0.01 | 0.02 | 0.09 | NA | 0.02 | NA | 0.00 | NA | NA | NA | NA | NA | 0.01 | 0.14 | NA | NA | NA | 0.01 | 29.72 | NA | NA | 0.01 | 0.07 | NA | 0.06 | 0.05 | NA | 0.09 | 0.02 | 0.00 | NA | NA | 0.01 |
| TAURO-BETA-MURICHOLIC ACID | ME204797 | 0.05 | 0.08 | 0.34 | 0.70 | 0.15 | 3.47 | 1.11 | 0.81 | 0.58 | 4.31 | 1.58 | 0.14 | 0.03 | 0.89 | 0.07 | 0.06 | 0.33 | 0.24 | 10.19 | 0.97 | 0.13 | 0.48 | 0.72 | 1.60 | 0.68 | 0.13 | 0.02 | 0.36 | 0.18 | 1.86 | 0.27 | 0.47 | 0.28 |
| TAUROCHENODEOXYCHOLIC ACID | ME204803 | 0.43 | 0.54 | 1.11 | 0.66 | 0.49 | 2.59 | 0.40 | 1.33 | 0.35 | 0.41 | 0.57 | 0.43 | 0.34 | 0.37 | 0.38 | 0.38 | 0.56 | 0.51 | 9.75 | 0.45 | 0.48 | 0.32 | 1.09 | 0.46 | 0.33 | 0.59 | 0.46 | 1.06 | 0.45 | 1.02 | 0.56 | 0.78 | 0.53 |
| TAUROCHOLIC ACID | ME204809 | 0.10 | 0.15 | 0.64 | 0.44 | 0.14 | 3.07 | 0.05 | 0.07 | 0.13 | 0.07 | 0.17 | 0.04 | 0.08 | 0.03 | 0.16 | 0.15 | 0.15 | 0.11 | 19.93 | 0.76 | 0.03 | 0.13 | 0.40 | 0.02 | 0.03 | 0.37 | 0.01 | 0.41 | 0.02 | 1.73 | 0.06 | 0.24 | 0.03 |
| TAUROURSODEOXYCHOLIC ACID | ME204811 | 0.12 | 0.21 | 0.36 | 0.35 | 0.23 | 2.02 | 0.46 | 1.75 | 0.22 | 0.52 | 2.70 | 0.15 | 0.09 | 0.22 | 0.19 | 0.10 | 0.26 | 0.32 | 16.06 | 0.29 | 0.36 | 0.23 | 0.41 | 1.71 | 0.24 | 0.18 | 0.16 | 0.30 | 0.19 | 1.03 | 0.26 | 0.26 | 0.27 |
Factors:
| F1 | SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment |
| F2 | SEX:F | TIMEPOINT:Day 0 | TREATMENT:UDCA |
| F3 | SEX:F | TIMEPOINT:Day 0 | TREATMENT:vehicle |
| F4 | SEX:F | TIMEPOINT:Day 2 | TREATMENT:no treatment |
| F5 | SEX:F | TIMEPOINT:Day 2 | TREATMENT:UDCA |
| F6 | SEX:F | TIMEPOINT:Day 2 | TREATMENT:vehicle |
| F7 | SEX:F | TIMEPOINT:Day 4 | TREATMENT:no treatment |
| F8 | SEX:F | TIMEPOINT:Day 4 | TREATMENT:UDCA |
| F9 | SEX:F | TIMEPOINT:Day 4 | TREATMENT:vehicle |
| F10 | SEX:F | TIMEPOINT:Day 7 | TREATMENT:no treatment |
| F11 | SEX:F | TIMEPOINT:Day 7 | TREATMENT:UDCA |
| F12 | SEX:F | TIMEPOINT:Day 7 | TREATMENT:vehicle |
| F13 | SEX:F | TIMEPOINT:NA | TREATMENT:post antibiotics |
| F14 | SEX:F | TIMEPOINT:NA | TREATMENT:pre antibiotics |
| F15 | SEX:M | TIMEPOINT:Day 0 | TREATMENT:UDCA |
| F16 | SEX:M | TIMEPOINT:Day 0 | TREATMENT:vehicle |
| F17 | SEX:M | TIMEPOINT:Day 2 | TREATMENT:no treatment |
| F18 | SEX:M | TIMEPOINT:Day 2 | TREATMENT:UDCA |
| F19 | SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle |
| F20 | SEX:M | TIMEPOINT:Day 4 | TREATMENT:no treatment |
| F21 | SEX:M | TIMEPOINT:Day 4 | TREATMENT:UDCA |
| F22 | SEX:M | TIMEPOINT:Day 4 | TREATMENT:vehicle |
| F23 | SEX:M | TIMEPOINT:Day 7 | TREATMENT:no treatment |
| F24 | SEX:M | TIMEPOINT:Day 7 | TREATMENT:UDCA |
| F25 | SEX:M | TIMEPOINT:Day 7 | TREATMENT:vehicle |
| F26 | SEX:M | TIMEPOINT:NA | TREATMENT:post antibiotics |
| F27 | SEX:M | TIMEPOINT:NA | TREATMENT:pre antibiotics |
| F28 | SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge |
| F29 | SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge |
| F30 | SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge |
| F31 | SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge |
| F32 | SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge |
| F33 | SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge |
