# Connection Report

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mummichog version: 0.10.3 r52:df75d0028792, using metabolic model MFN_1.10.2.

## Top pathways

Pathways | overlap_size | pathway_size | p-value (raw) | p-value
--- | --- | --- | --- | ---
Vitamin E metabolism | 2 | 3 | 0.03464 | 0.13177
Androgen and estrogen biosynthesis and metabolism | 4 | 20 | 0.17683 | 0.16054
C21-steroid hormone biosynthesis and metabolism | 3 | 18 | 0.33234 | 0.28314
Drug metabolism - cytochrome P450 | 2 | 22 | 0.74037 | 0.70307
Selenoamino acid metabolism | 0 | 3 | 1.0 | 1.0

## Top modules

module_1, p=0.0, 9 metabolites
Alcohol, 3beta-Hydroxyandrost-5-en-17-one; Dehydroepiandrosterone; Dehydroisoandrosterone; DHA; DHEA, Adenosine 3',5'-bisphosphate; PAP; 3'-Phosphoadenylate; Phosphoadenosine phosphate, 3'-Phosphoadenylyl sulfate; 3'-Phosphoadenosine 5'-phosphosulfate; 3'-Phospho-5'-adenylyl sulfate; PAPS, Sulfate; Sulfuric acid, 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; Dehydroepiandrosterone sulfate, Dehydroepiandrosterone, beta-1,4-mannose-N-acetylglucosamine, 17alpha-Hydroxypregnenolone
module_2, p=0.0, 8 metabolites
Androstenedione, Androst-4-ene-3,17-dione; Androstenedione; 4-Androstene-3,17-dione, 5beta-Androstane-3,17-dione, Testosterone; 17beta-Hydroxy-4-androsten-3-one, 3beta-Hydroxyandrost-5-en-17-one; Dehydroepiandrosterone; Dehydroisoandrosterone; DHA; DHEA, 5alpha-Androstane-3,17-dione; Androstanedione, 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; Dehydroepiandrosterone sulfate, Dehydroepiandrosterone
module_3, p=0.0, 5 metabolites
5beta-Androstane-3,17-dione, Androstenedione, 5alpha-Androstane-3,17-dione; Androstanedione, Androst-4-ene-3,17-dione; Androstenedione; 4-Androstene-3,17-dione, Testosterone; 17beta-Hydroxy-4-androsten-3-one
module_4, p=0.0, 8 metabolites
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one, Androst-4-ene-3,17-dione; Androstenedione; 4-Androstene-3,17-dione, Reduced acceptor; AH2, Acceptor; A, 3-Oxo-5alpha-steroid, 3-Oxo-delta4-steroid, 5alpha-Androstane-3,17-dione; Androstanedione, 17beta-Hydroxyandrostan-3-one; 5alpha-Dihydrotestosterone; Androstanolone; 17beta-Hydroxy-5alpha-androstan-3-one
module_5, p=0.00019, 19 metabolites
11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al, Androstenedione, 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione; 5beta-Pregnane-11beta,21-diol-3,20-dione, 3-Oxo-5beta-steroid, 21-Hydroxy-5beta-pregnane-3,11,20-trione, 5beta-Pregnane-3,20-dione, 7alpha,12alpha-Dihydroxycholest-4-en-3-one, 5beta-Androstane-3,17-dione, Progesterone; 4-Pregnene-3,20-dione, Testosterone; 17beta-Hydroxy-4-androsten-3-one, 11-Dehydrocorticosterone, 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one, 7alpha-Hydroxycholest-4-en-3-one, 5beta-Dihydrotestosterone, 16alpha-Hydroxydehydroepiandrosterone; 5-Androstene-3beta,16alpha-diol-17-one, Corticosterone; 11beta,21-Dihydroxy-4-pregnene-3,20-dione; Kendall's compound B; Reichstein's substance H, Aldosterone; 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al, Formate; Methanoic acid; Formic acid, 7alpha-Hydroxy-5beta-cholestan-3-one
module_6, p=0.00078, 8 metabolites
Ascorbate; Ascorbic acid; L-Ascorbate; L-Ascorbic acid; Vitamin C, , , , O2.-; Superoxide anion; O2-, (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; Arachidonate; Arachidonic acid; cis-5,8,11,14-Eicosatetraenoic acid, ,
module_7, p=0.0012, 63 metabolites
Androstenedione, N-Acetyl-D-glucosamine; N-Acetylchitosamine; 2-Acetamido-2-deoxy-D-glucose; GlcNAc, Acceptor; A, 3beta-Hydroxyandrost-5-en-17-one; Dehydroepiandrosterone; Dehydroisoandrosterone; DHA; DHEA, 21-Hydroxypregnenolone, 17alpha,21-Dihydroxypregnenolone, 11-Deoxycortisol; Cortodoxone, 11beta,17alpha,21-Trihydroxypregnenolone, Testosterone; 17beta-Hydroxy-4-androsten-3-one, 5beta-Dihydrotestosterone, UDP; Uridine 5'-diphosphate, Estradiol-17beta; beta-Estradiol; Estradiol, 17alpha,20alpha-Dihydroxycholesterol, 11beta-Hydroxyprogesterone, 21-Deoxycortisol; 4-Pregnene-11beta,17alpha-diol-3,20-dione; 11beta,17alpha-Dihydroxyprogesterone, 11-Deoxycorticosterone; Deoxycorticosterone; Cortexone; 21-Hydroxy-4-pregnene-3,20-dione; Desoxycortone; DOC, 11-Dehydrocorticosterone, 3-Oxo-delta5-steroid, 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al, 17beta-Hydroxyandrostan-3-one; 5alpha-Dihydrotestosterone; Androstanolone; 17beta-Hydroxy-5alpha-androstan-3-one, 16alpha-Hydroxyandrost-4-ene-3,17-dione; 4-Androsten-16alpha-ol-3,17-dione, Progesterone; 4-Pregnene-3,20-dione, Steroid, 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione; 5beta-Pregnane-11beta,21-diol-3,20-dione, Pregnenolone; 5-Pregnen-3beta-ol-20-one; 3beta-Hydroxypregn-5-en-20-one, 21-Hydroxy-5beta-pregnane-3,11,20-trione, 5beta-Pregnane-3,20-dione, Acetaldehyde; Ethanal, 5beta-Androstane-3,17-dione, 5alpha-Androstane-3,17-dione; Androstanedione, Alcohol, Campesterol, Aldosterone; 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al, 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one, 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one, 7alpha-Hydroxy-5beta-cholestan-3-one, 7alpha,12alpha-Dihydroxycholest-4-en-3-one, 7alpha-Hydroxycholest-4-en-3-one, 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; Dehydroepiandrosterone sulfate, Campest-4-en-3beta-ol; (24R)-Ergost-4-en-3beta-ol, Dehydroepiandrosterone, beta-1,4-mannose-N-acetylglucosamine, 17alpha-Hydroxyprogesterone; 17alpha-Hydroxy-4-pregnene-3,20-dione; Pregn-4-ene-3,20-dione-17-ol; 17alpha-Hydroxy-progesterone, 3-Oxo-delta4-steroid, Estrone; 3-Hydroxy-1,3,5(10)-estratrien-17-one, N-Acetyllactosamine; beta-D-Galactosyl-1,4-N-acetyl-D-glucosamine; beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosamine, 20alpha-Hydroxycholesterol, Androst-4-ene-3,17-dione; Androstenedione; 4-Androstene-3,17-dione, 3-Oxo-5alpha-steroid, 3-Oxo-5beta-steroid, Androst-5-ene-3beta,17beta-diol; 3beta,17beta-Dihydroxyandrost-5-ene; 3beta,17beta-Dihydroxy-5-androstene; Androstenediol, Adenosine 3',5'-bisphosphate; PAP; 3'-Phosphoadenylate; Phosphoadenosine phosphate, 3'-Phosphoadenylyl sulfate; 3'-Phosphoadenosine 5'-phosphosulfate; 3'-Phospho-5'-adenylyl sulfate; PAPS, Corticosterone; 11beta,21-Dihydroxy-4-pregnene-3,20-dione; Kendall's compound B; Reichstein's substance H, Formate; Methanoic acid; Formic acid, Sulfate; Sulfuric acid, Acetate; Acetic acid; Ethanoic acid; Glacial acetic acid, Reduced acceptor; AH2, 17alpha-Hydroxypregnenolone, 16alpha-Hydroxydehydroepiandrosterone; 5-Androstene-3beta,16alpha-diol-17-one, Androsterone; 3alpha-Hydroxy-5alpha-androstan-17-one, Cortisol; Hydrocortisone; 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione; Kendall's compound F; Reichstein's substance M, 17alpha-Hydroxysteroid
module_8, p=0.01802, 6 metabolites
Prostaglandin A2; PGA2; Medullin, Prostaglandin J2; PGJ2, Prostaglandin B2; PGB2, Prostaglandin C2; PGC2, Prostaglandin E2; (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate; Dinoprostone, Glutathione; 5-L-Glutamyl-L-cysteinylglycine; N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine; gamma-L-Glutamyl-L-cysteinyl-glycine; GSH; Reduced glutathione

## Top metabolite predictions

Compound_ID | name(input_mz) | evidence_score(match_form) | MW(mz_diff) | all_possibles
--- | --- | --- | --- | ---
mn | beta-1,4-mannose-N-acetylglucosamine | 3 | 383.1428 | mn, C00611
| 386.147400 | M(Cl37)+H[1+] | 0.000200 |
| 386.147400 | M(S34)+H[1+] | 0.001600 |
| 300.189800 | M-HCOOK+H[1+] | 0.001100 |
andrstndn | Androstenedione | 2 | 286.1933 | C00280, andrstndn
| 355.189600 | M+HCOONa[1+] | 0.001600 |
| 270.176700 | M-NH3+H[1+] | 0.002600 |
CE5928 |  | 3 | 334.2144 | C05953, C05954, C05955, CE5535, CE5537, CE5925, CE5928, C05957
| 357.206200 | M+Na[1+] | 0.002500 |

## More data

Full data tables from pathway analysis, module analysis and activity network are stored in the 'tsv/' directory. The tsv files can be imported into a spreadsheet program, e.g. MS Excel. Under the 'sif/' directory are files intended for Cytoscape (cytoscape.org) visualization. Please refer to Cytoscape's guides for details. Details of this run are recorded in file mummichog.log.