TABLE 2.
Fraction A | Fraction B | Sterol systematic name (common name) | Abbreviation | Study 1 |
Study 2 |
Note | ||||||||
m/z | m/z | ng/mL | ng/mL | |||||||||||
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|
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PD | Control | Significance | PD | Control | Significance | |||||||||
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Mean | SD | Mean | SD | PD vs Control | Mean | SD | Mean | SD | PD vs Control | |||||
527.3640 | 522.3326 | 7α-Hydroxy-3-oxochol-4-en-24-oic acid | 7αH,3O-Δ4-BA | 0.672 | 0.246 | 0.708 | 0.237 | NS | 0.675 | 0.167 | 0.551 | 0.081 | NS | |
539.4004 | 534.369 | 7α-Hydroxy-27-nor-cholest-4-ene-3,24-dione | 7αH-27-nor-C-3,24-diO | 0.387 | 0.162 | 0.245 | 0.143 | ** | 0.698 | 0.194 | 0.638 | 0.025 | NS | 1 |
539.4368 | NA | Cholest-5-ene-3β,24S-diol (24S-hydroxycholesterol) | 24S-HC | 0.050 | 0.022 | 0.045 | 0.019 | NS | 0.015 | 0.009 | 0.008 | 0.004 | NS | |
539.4368 | NA | Cholest-5-ene-3β,25-diol (25-hydroxycholesterol) | 25-HC | 0.028 | 0.028 | 0.030 | 0.019 | NS | 0.016 | 0.015 | 0.012 | 0.005 | NS | |
539.4368 | NA | Cholest-5-ene-3β,(25R)26-diol ((25R),26-Hydroxycholesterol) | 26-HC | 0.113 | 0.064 | 0.100 | 0.028 | NS | 0.093 | 0.053 | 0.064 | 0.017 | NS | |
539.4368 | NA | Cholest-5-ene-3β,7β-diol (7β-Hydroxycholesterol) | 7β-HC | 0.056 | 0.066 | 0.036 | 0.027 | NS | 0.181 | 0.474 | 0.082 | 0.034 | NS | 2 |
539.4368 | 534.4054 | 3β-Hydroxycholest-5-en-7-one (7-Oxocholesterol) | 7-OC | 0.601 | 0.513 | 0.378 | 0.225 | NS | 0.671 | 0.671 | 0.731 | 0.540 | NS | 2 |
539.4368 | NA | Cholest-5-ene-3β,7α-diol (7α-Hydroxycholesterol) | 7α-HC | 0.063 | 0.067 | 0.039 | 0.032 | NS | 0.091 | 0.118 | 0.056 | 0.027 | NS | 2 |
539.4368 | NA | Cholest-5-ene-3β,6β-diol (6β-Hydroxycholesterol) | 6β-HC | 0.345 | 0.234 | 0.280 | 0.312 | NS | 0.918 | 1.289 | 0.593 | 0.141 | NS | 3 |
537.4212 | NA | 9,10-Secocholesta-5,7,10-triene-3β,25-diol (25-hydroxyvitamin D3) | 25-D3 | NM | NM | NM | NM | NA | 0.171 | 0.095 | 0.140 | 0.057 | NS | |
551.4004 | 546.369 | 3-Oxocholesta-4,6-dien-26-oic acid | – | 2.654 | 2.426 | 1.546 | 0.468 | NS | 1.461 | 0.496 | 1.154 | 0.335 | NS | 4 |
551.4004 | NA | 3β-Hydroxycholesta-5,7-dien-26-oic acid | – | 0.318 | 0.334 | 0.079 | 0.099 | ** | 0.142 | 0.143 | 0.043 | 0.038 | NS | 5 |
553.4161 | NA | 3β,x-Dihydroxycholest-5-en-y-one | 3β,x-diHC-yO | NM | NM | NM | NM | NA | 0.050 | 0.036 | 0.066 | 0.028 | NS | 6 |
553.4161 | NA | 3β-Hydroxycholest-5-en-(25R)26-oic acid | 3β-HCA | 1.073 | 0.793 | 0.959 | 0.416 | NS | 1.210 | 0.557 | 0.899 | 0.287 | NS | |
555.4317 | 550.4003 | 7α,25-Dihydroxycholest-4-en-3-one | 7α,25-diHCO | NM | NM | NM | NM | NA | 0.009 | 0.005 | 0.006 | 0.001 | * | |
555.4317 | NA | Cholest-5-ene-3β,7α,25-triol (7α,25-Dihydroxycholesterol) | 7α,25-diHC | NM | NM | NM | NM | NA | 0.006 | 0.005 | 0.006 | 0.004 | NS | |
555.4317 | 550.4003 | 7α,(25R)26-Dihydroxycholest-4-en-3-one | 7α,26-diHCO | NM | NM | NM | NM | NA | 0.009 | 0.004 | 0.005 | 0.001 | ** | |
555.4317 | NA | Cholest-5-ene-3β,7α,(25R)26-triol (7α,(25R)26-Dihydroxycholesterol) | 7α,26-diHC | NM | NM | NM | NM | NA | 0.005 | 0.002 | 0.002 | 0.002 | * | |
567.3953 | 562.3639 | x-Hydroxy-3-oxocholesta-4,6-dien-26-oic acid | – | 0.190 | 0.169 | 0.112 | 0.041 | NS | 0.453 | 0.143 | 0.361 | 0.119 | NS | |
567.3953 | 562.3639 | x-Hydroxy-3-oxocholesta-4,6-dien-26-oic acid | – | 0.100 | 0.090 | 0.069 | 0.036 | NS | NM | NM | NM | NM | NA | |
569.4110 | NA | 3β,7β-Dihydroxycholest-5-en-26-oic acid | 3β,7β-diHCA | 0.455 | 0.212 | 0.403 | 0.190 | NS | 0.506 | 0.169 | 0.406 | 0.104 | NS | 7 |
569.4110 | NA | 3β,x,y-Trihydroxycholest-5-en-z-one | 3β,x,y-triHC-zO | 0.228 | 0.122 | 0.147 | 0.067 | * | 0.172 | 0.061 | 0.127 | 0.036 | NS | 8 |
569.4110 | 564.3796 | 7α-Hydroxy-3-oxocholest-4-en-26-oic acid | 7αH,3O-CA | 22.728 | 11.445 | 15.851 | 4.305 | * | 21.198 | 6.292 | 17.731 | 3.983 | NS | 7,9 |
569.4110 | NA | 3β,7α-Dihydroxycholest-5-en-26-oic acid | 3β,7α-diHCA | 3.235 | 3.308 | 2.042 | 1.577 | NS | 3.808 | 2.258 | 1.785 | 1.575 | NS | 7,10 |
571.4266 | 566.3952 | 7α,x,y-Trihydroxycholest-4-en-3-one | 7α,x,y-triHCO | 0.198 | 0.258 | 0.286 | 0.116 | NS | 0.116 | 0.062 | 0.068 | 0.013 | * | 11 |
583.3903 | 578.3589 | 7α-Hydroxy-3,24-bisoxocholest-4-en-26-oic acid | 7αH,3,24-diO-CA | 0.236 | 0.082 | 0.208 | 0.057 | NS | 0.285 | 0.094 | 0.227 | 0.065 | NS | 12 |
585.4059 | 580.3745 | 7α,24-Dihydroxy-3-oxocholest-4-en-26-oic acid | 7α,24-diH,3O-CA | NM | NM | NM | NM | NA | 0.312 | 0.080 | 0.251 | 0.021 | NS | |
585.4059 | 580.3745 | 7α,x-Dihydroxy-3-oxocholest-4-en-26-oic acid | 7α,x-diH,3O-CA | 5.212 | 1.737 | 2.938 | 0.887 | *** | 5.938 | 1.522 | 5.038 | 1.314 | NS | 13 |
585.4059 | 580.3745 | 7α,25-Dihydroxy-3-oxocholest-4-en-26-oic acid | 7α,25-diH,3O-CA | 1.306 | 0.472 | 0.715 | 0.224 | *** | 1.634 | 0.458 | 1.353 | 0.213 | NS | |
585.4059 | 580.3745 | 7α,12α-Dihydroxy-3-oxocholest-4-en-26-oic acid | 7α,12α-diH,3O-CA | NM | NM | NM | NM | NA | 1.100 | 1.176 | 1.157 | 0.600 | NS | |
601.4008 | 596.3694 | Trihydroxy-3-oxocholest-4-en-26-oic acid | triH,3O-CA | 0.021 | 0.063 | 0.077 | 0.041 | * | NM | NM | NM | NM | NA | |
TOTAL 7α-Hydroxy-3-oxocholest-4-en-26-oic acid | 7αH,3O-CA | 25.383 | 13.206 | 17.396 | 4.628 | * | 22.659 | 6.745 | 18.886 | 4.312 | NS | 14 | ||
TOTAL 3β,7α-Dihydroxycholest-5-en-26-oic acid | 3β,7α-diHCA | 3.553 | 3.477 | 2.121 | 1.648 | NS | 3.950 | 2.384 | 1.828 | 1.606 | NS | 15 |
*P < 0.05, **P < 0.01, ***P < 0.001 determined using Mann–Whitney Test. NA, not applicable. As a visual aid concentrations are written in bold. 1. Decarboxylation product of 7α-hydroxy-3,24-bisoxocholest-4-en-26-oic acid. 2. May be formed enzymatically or by in vivo or ex vivo autoxidation. 3. 6β-HC is the dehydration product of cholestane-3β,5α,6β-triol, formed from 5,6-epoxycholesterol. 4. Dehydration product of 7αH,3O-CA. 5. Dehydration product of 3β,7-diHCA. 6. x and y probably correspond to 22 and 24 or 20 and 22, based on MS3 spectra. 7. 25R and 25S epimers measured in combination. 8. x, y and z probably 22, 25 and 24. 9. Some dehydration of 7αH,3O-CA (see 4). 10. Some dehydration of 3β,7-diHCA (see 5). 11. x any y probably 24,25, 24,26, or 25,26. 12. Undergoes decarboxylation to 7α-hydroxy-27-nor-cholest-4-ene-3,24-dione (see 1). 13. x is probably on the side-chain. 14. Total 7α-hydroxy-3-oxocholest-4-en-26-oic acid is a combination of molecule and its dehydrated analogue. 15. Total 3β,7α-dihydroxycholest-5-en-26-oic acid is a combination of molecule and its dehydrated analogue.