Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Templates #56

Closed
wants to merge 6 commits into from
Closed

Templates #56

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
6 commits
Select commit Hold shift + click to select a range
72faec2
add checking of imbalenced and obsolete template reactions
JamesJeffryes Jul 21, 2017
a8464d9
updated obsolete reactions
JamesJeffryes Jul 21, 2017
f344075
removing mass imbalenced reactions
JamesJeffryes Jul 21, 2017
44ae593
print imbalanced
JamesJeffryes Jul 21, 2017
5cf3636
Revert "removing mass imbalenced reactions"
JamesJeffryes Sep 12, 2017
421b5ff
Rather than just removing the reactions from the templates I took a m…
JamesJeffryes Sep 13, 2017
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 3 additions & 3 deletions Biochemistry/compounds.tsv
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -8193,7 +8193,7 @@ cpd08301 2mecdp 2-C-methyl-D-erythritol2-4-cyclodiphosphate C5H10O9P2 276 ModelS
cpd08302 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol C29H46O 410 ModelSEED InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1 0 1 0 null 0 57.44 6.99681 null null null
cpd08303 cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol C9H11O4 183 ModelSEED InChI=1S/C9H12O4/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5,7-8,10-11H,1H3,(H,12,13)/t5?,7-,8+/m0/s1 -1 1 0 null 0 -122.73 1.17345 null null null
cpd08304 3hpppn Dihydro-3-coumaric acid C9H9O3 165 ModelSEED InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) -1 1 0 null 0 -87.74 0.879507 null null null
cpd08305 ctbt crotonobetaine C8H16NO 142 ModelSEED InChI=1S/C8H16NO/c1-5-6-8(10)7-9(2,3)4/h5-6H,7H2,1-4H3/q+1/b6-5+ 1 1 0 null 0 44.07 2.06082 null null null
cpd08305 ctbt crotonobetaine C7H13NO2 142 ModelSEED InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+ 0 1 0 null 0 44.07 2.06082 null null null
cpd08306 Butyro-betaine Butyro-betaine C8H18NO 144 ModelSEED InChI=1S/C8H18NO/c1-5-6-8(10)7-9(2,3)4/h5-7H2,1-4H3/q+1 1 1 0 null 0 23.26 2.00419 null null null
cpd08307 dTDP-4-oxo-5-C-methyl-L-rhamnose dTDP-4-oxo-5-C-methyl-L-rhamnose C17H24N2O15P2 558 ModelSEED InChI=1S/C17H26N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-12,15,20-22H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,15+/m0/s1 -2 1 0 null 0 -681.65 2.79744 null null null
cpd08308 dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose C17H28N3O14P2 560 ModelSEED InChI=1S/C17H29N3O14P2/c1-7-5-20(16(25)19-14(7)24)10-4-8(21)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(23)11(22)13(18)17(2,3)32-15/h5,8-13,15,21-23H,4,6,18H2,1-3H3,(H,26,27)(H,28,29)(H,19,24,25)/t8-,9+,10+,11-,12+,13-,15+/m0/s1 -1 1 0 null 0 -652.96 2.83625 null null null
Expand Down Expand Up @@ -13306,9 +13306,9 @@ cpd14934 1,2-Dihydrophthalic acid 1,2-Dihydrophthalic acid C8H6O4 166 ModelSEED
cpd14935 3ohodcoa 3-Oxostearoyl-CoA C39H65N7O18P3S 1044 ModelSEED InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t28-,32-,33-,34+,38-/m1/s1 -3 1 0 null 0 -789.93 3.98006 null null null
cpd14936 C18:0-3HYDROXYCOA 3-Hydroxystearoyl-CoA C39H67N7O18P3S 1046 ModelSEED InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27?,28-,32-,33-,34+,38-/m1/s1 -3 1 0 null 0 -797.95 3.97035 null null null
cpd14937 od2coa (2E)-Octadecenoyl-CoA C39H65N7O17P3S 1028 ModelSEED InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32-,33-,34+,38-/m1/s1 -3 1 0 null 0 -739.1 3.9484 null null null
cpd14938 3oxocdacp 3-Oxostearoyl-[acp] C29H54N2O9PRS 314 ModelSEED null -2 1 0 null 0 10000000 10000000 null null null
cpd14938 3oxocdacp 3-Oxostearoyl-[acp] C18H33O2RS 314 ModelSEED null -2 1 0 null 0 10000000 10000000 null null null
cpd14939 3hc18acp 3-Hydroxystearoyl-[acp] C18H35O2RS 316 ModelSEED null 0 1 0 null 0 10000000 10000000 null null null
cpd14940 tocdeenacp (2E)-Octadecenoyl-[acp] C29H54N2O8PRS 298 ModelSEED null -2 1 0 null 0 10000000 10000000 null null null
cpd14940 tocdeenacp (2E)-Octadecenoyl-[acp] C18H33ORS 298 ModelSEED null -2 1 0 null 0 10000000 10000000 null null null
cpd14941 Formononetin 7-O-glucoside-6''-O-malonate Formononetin 7-O-glucoside-6''-O-malonate C25H23O12 515 ModelSEED InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1 -1 1 0 null 0 -327.67 3.08453 null null null
cpd14942 (-)-Medicocarpin (-)-Medicocarpin C22H24O9 432 ModelSEED InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,17+,18+,19-,20+,21-,22+/m0/s1 0 1 0 null 0 -221.09 4.35082 null null null
cpd14943 Medicarpin 3-O-glucoside-6'-malonate Medicarpin 3-O-glucoside-6'-malonate C25H25O12 517 ModelSEED InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1 -1 1 0 null 0 -336.37 4.36257 null null null
Expand Down
8 changes: 4 additions & 4 deletions Biochemistry/reactions.tsv
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4589,7 +4589,7 @@ rxn04652 R06837 Ribose 1-phosphokinase (1) cpd00475[0] <=> (1) cpd00847[0] -1:cp
rxn04653 R06838 4-carboxymethylenebut-2-en-4-olide lactonohydrolase (1) cpd00001[0] + (1) cpd09317[0] <=> (1) cpd01498[0] -1:cpd00001:0:0:"H2O";-1:cpd09317:0:0:"trans-4-Carboxymethylenebut-2-en-4-olide";1:cpd00067:0:0:"H+";1:cpd01498:0:0:"Maleylacetate" 0 (1) cpd00001[0] + (1) cpd09317[0] <=> (1) cpd00067[0] + (1) cpd01498[0] (1) H2O[0] + (1) trans-4-Carboxymethylenebut-2-en-4-olide[0] <=> (1) H+[0] + (1) Maleylacetate[0] > > null null null null -23.12 2.47 cpd01498;cpd09317;cpd00001;cpd00067 OK 0 rxn38509
rxn04654 R06839 catechol:oxygen 1,2-oxidoreductase (1) cpd00007[0] + (1) cpd03336[0] <=> (1) cpd02243[0] -1:cpd00007:0:0:"O2";-1:cpd03336:0:0:"3-Chlorocatechol";2:cpd00067:0:0:"H+";1:cpd02243:0:0:"2-Chloro-cis,cis-muconate" 0 (1) cpd00007[0] + (1) cpd03336[0] <=> (2) cpd00067[0] + (1) cpd02243[0] (1) O2[0] + (1) 3-Chlorocatechol[0] <=> (2) H+[0] + (1) 2-Chloro-cis,cis-muconate[0] > > null null null null -95.64 1.59 cpd00007;cpd03336;cpd02243;cpd00067 OK 0 null
rxn04655 2-chloro-2,5-dihydro-5-oxofuran-2-acetate lyase (decyclizing) 2-chloro-2,5-dihydro-5-oxofuran-2-acetate lyase (decyclizing) (1) cpd02243[0] <=> (1) cpd09317[0] -1:cpd02243:0:0:"2-Chloro-cis,cis-muconate";1:cpd09317:0:0:"trans-4-Carboxymethylenebut-2-en-4-olide" 0 (1) cpd02243[0] <=> (1) cpd09317[0] (1) 2-Chloro-cis,cis-muconate[0] <=> (1) trans-4-Carboxymethylenebut-2-en-4-olide[0] < = null null null null 27.2 2.47432 cpd09317;cpd02243 MI:Cl:-1|CI:1 0 null
rxn04656 rxn04656 rxn04656 (1) cpd00705[0] <=> (1) cpd09349[0] -1:cpd00705:0:0:"L-2-Aminoadipate";1:cpd09349:0:0:"N2-Acetyl-L-aminoadipate" 0 (1) cpd00705[0] <=> (1) cpd09349[0] (1) L-2-Aminoadipate[0] <=> (1) N2-Acetyl-L-aminoadipate[0] > = null null null null -29.6 0.684855 cpd09349;cpd00705 MI:C:2/H:1/O:1|CI:-1 0 null
rxn04656 rxn04656 rxn04656 (1) cpd00705[0] <=> (1) cpd09349[0] -1:cpd00705:0:0:"L-2-Aminoadipate";1:cpd09349:0:0:"N2-Acetyl-L-aminoadipate" 0 (1) cpd00705[0] <=> (1) cpd09349[0] (1) L-2-Aminoadipate[0] <=> (1) N2-Acetyl-L-aminoadipate[0] > = null null null null -29.6 0.684855 cpd09349;cpd00705 MI:C:2/H:1/O:1|CI:-1 1 rxn24059
rxn04657 RXN-5182.c N2-acetyl-L-aminoadipate kinase (1) cpd00002[0] + (1) cpd09349[0] <=> (1) cpd00008[0] + (1) cpd09350[0] -1:cpd00002:0:0:"ATP";-1:cpd09349:0:0:"N2-Acetyl-L-aminoadipate";1:cpd00008:0:0:"ADP";1:cpd09350:0:0:"N2-Acetyl-L-aminoadipyl-delta-phosphate" 0 (1) cpd00002[0] + (1) cpd09349[0] <=> (1) cpd00008[0] + (1) cpd09350[0] (1) ATP[0] + (1) N2-Acetyl-L-aminoadipate[0] <=> (1) ADP[0] + (1) N2-Acetyl-L-aminoadipyl-delta-phosphate[0] = = null null null null -6.9 0.29 cpd09350;cpd09349;cpd00008;cpd00002 OK|HB 0 null
rxn04658 RXN-5183.c RXN-5183.c (1) cpd00005[0] + (1) cpd09350[0] <=> (1) cpd00006[0] + (1) cpd00009[0] + (1) cpd09351[0] -1:cpd00005:0:0:"NADPH";-1:cpd00067:0:0:"H+";-1:cpd09350:0:0:"N2-Acetyl-L-aminoadipyl-delta-phosphate";1:cpd00006:0:0:"NADP";1:cpd00009:0:0:"Phosphate";1:cpd09351:0:0:"N2-Acetyl-L-aminoadipate semialdehyde" 0 (1) cpd00005[0] + (1) cpd00067[0] + (1) cpd09350[0] <=> (1) cpd00006[0] + (1) cpd00009[0] + (1) cpd09351[0] (1) NADPH[0] + (1) H+[0] + (1) N2-Acetyl-L-aminoadipyl-delta-phosphate[0] <=> (1) NADP[0] + (1) Phosphate[0] + (1) N2-Acetyl-L-aminoadipate semialdehyde[0] = = null null null null 9.89 1.2 cpd00005;cpd09350;cpd00009;cpd09351;cpd00067;cpd00006 OK|HB 0 rxn38380
rxn04659 RXN-5184.c RXN-5184.c (1) cpd00023[0] + (1) cpd09351[0] <=> (1) cpd00024[0] + (1) cpd09352[0] -1:cpd00023:0:0:"L-Glutamate";-1:cpd09351:0:0:"N2-Acetyl-L-aminoadipate semialdehyde";1:cpd00024:0:0:"2-Oxoglutarate";1:cpd09352:0:0:"N2-Acetyl-L-lysine" 0 (1) cpd00023[0] + (1) cpd09351[0] <=> (1) cpd00024[0] + (1) cpd09352[0] (1) L-Glutamate[0] + (1) N2-Acetyl-L-aminoadipate semialdehyde[0] <=> (1) 2-Oxoglutarate[0] + (1) N2-Acetyl-L-lysine[0] = = null null null null 1 0.35 cpd09352;cpd09351;cpd00024;cpd00023 OK 0 null
Expand Down Expand Up @@ -7343,8 +7343,8 @@ rxn07573 R07759 R07759 (1) cpd00005[0] + (1) cpd14935[0] <=> (1) cpd00006[0] + (
rxn07574 R07760 R07760 (1) cpd14936[0] <=> (1) cpd00001[0] + (1) cpd14937[0] -1:cpd14936:0:0:"3-Hydroxystearoyl-CoA";1:cpd00001:0:0:"H2O";1:cpd14937:0:0:"(2E)-Octadecenoyl-CoA" 0 (1) cpd14936[0] <=> (1) cpd00001[0] + (1) cpd14937[0] (1) 3-Hydroxystearoyl-CoA[0] <=> (1) H2O[0] + (1) (2E)-Octadecenoyl-CoA[0] = = null null null null 2.16 0.77 cpd14936;cpd00001;cpd14937 OK 0 null
rxn07575 R07761 R07761 (1) cpd00005[0] + (1) cpd14937[0] <=> (1) cpd00006[0] + (1) cpd00327[0] -1:cpd00005:0:0:"NADPH";-1:cpd14937:0:0:"(2E)-Octadecenoyl-CoA";1:cpd00006:0:0:"NADP";1:cpd00327:0:0:"strcoa" 0 (1) cpd00005[0] + (1) cpd14937[0] <=> (1) cpd00006[0] + (1) cpd00327[0] (1) NADPH[0] + (1) (2E)-Octadecenoyl-CoA[0] <=> (1) NADP[0] + (1) strcoa[0] > > null null null null -16.55 1.19 cpd00005;cpd00067;cpd00327;cpd00006;cpd14937 OK|HB 0 rxn25652
rxn07576 R07762 R07762 (1) cpd11476[0] + (1) cpd11492[0] <=> (1) cpd00011[0] + (1) cpd11493[0] + (1) cpd14938[0] -1:cpd00067:0:0:"H+";-1:cpd11476:0:0:"hexadecanoyl-acp";-1:cpd11492:0:0:"Malonyl-acyl-carrierprotein-";1:cpd00011:0:0:"CO2";1:cpd11493:0:0:"ACP";1:cpd14938:0:0:"3-Oxostearoyl-[acp]" 0 (1) cpd00067[0] + (1) cpd11476[0] + (1) cpd11492[0] <=> (1) cpd00011[0] + (1) cpd11493[0] + (1) cpd14938[0] (1) H+[0] + (1) hexadecanoyl-acp[0] + (1) Malonyl-acyl-carrierprotein-[0] <=> (1) CO2[0] + (1) ACP[0] + (1) 3-Oxostearoyl-[acp][0] > > null null null null -7.37 1.19 cpd11493;cpd11476;cpd14938;cpd00011;cpd11492 HB|CI:-1 0 rxn30096
rxn07577 R07763 R07763 (1) cpd00005[0] + (1) cpd14938[0] <=> (1) cpd00006[0] + (1) cpd14939[0] -1:cpd00005:0:0:"NADPH";-1:cpd00067:0:0:"H+";-1:cpd14938:0:0:"3-Oxostearoyl-[acp]";1:cpd00006:0:0:"NADP";1:cpd14939:0:0:"3-Hydroxystearoyl-[acp]" 0 (1) cpd00005[0] + (1) cpd00067[0] + (1) cpd14938[0] <=> (1) cpd00006[0] + (1) cpd14939[0] (1) NADPH[0] + (1) H+[0] + (1) 3-Oxostearoyl-[acp][0] <=> (1) NADP[0] + (1) 3-Hydroxystearoyl-[acp][0] = = null null null null -3.76 1.08 cpd14939;cpd00005;cpd00067;cpd14938;cpd00006 MI:C:-11/H:-21/N:-2/O:-7/P:-1|CI:2 0 rxn30175
rxn07578 R07764 R07764 (1) cpd14939[0] <=> (1) cpd00001[0] + (1) cpd14940[0] -1:cpd14939:0:0:"3-Hydroxystearoyl-[acp]";1:cpd00001:0:0:"H2O";1:cpd14940:0:0:"(2E)-Octadecenoyl-[acp]" 0 (1) cpd14939[0] <=> (1) cpd00001[0] + (1) cpd14940[0] (1) 3-Hydroxystearoyl-[acp][0] <=> (1) H2O[0] + (1) (2E)-Octadecenoyl-[acp][0] = = null null null null 2.16 0.77 cpd14939;cpd14940;cpd00001 MI:C:11/H:21/N:2/O:7/P:1|CI:-2 0 rxn30140
rxn07577 R07763 R07763 (1) cpd00005[0] + (1) cpd14938[0] <=> (1) cpd00006[0] + (1) cpd14939[0] -1:cpd00005:0:0:"NADPH";-1:cpd00067:0:0:"H+";-1:cpd14938:0:0:"3-Oxostearoyl-[acp]";1:cpd00006:0:0:"NADP";1:cpd14939:0:0:"3-Hydroxystearoyl-[acp]" 0 (1) cpd00005[0] + (1) cpd00067[0] + (1) cpd14938[0] <=> (1) cpd00006[0] + (1) cpd14939[0] (1) NADPH[0] + (1) H+[0] + (1) 3-Oxostearoyl-[acp][0] <=> (1) NADP[0] + (1) 3-Hydroxystearoyl-[acp][0] = = null null null null -3.76 1.08 cpd14939;cpd00005;cpd00067;cpd14938;cpd00006 OK 0 rxn30175
rxn07578 R07764 R07764 (1) cpd14939[0] <=> (1) cpd00001[0] + (1) cpd14940[0] -1:cpd14939:0:0:"3-Hydroxystearoyl-[acp]";1:cpd00001:0:0:"H2O";1:cpd14940:0:0:"(2E)-Octadecenoyl-[acp]" 0 (1) cpd14939[0] <=> (1) cpd00001[0] + (1) cpd14940[0] (1) 3-Hydroxystearoyl-[acp][0] <=> (1) H2O[0] + (1) (2E)-Octadecenoyl-[acp][0] = = null null null null 2.16 0.77 cpd14939;cpd14940;cpd00001 OK 0 rxn30140
rxn07579 R07765 R07765 (1) cpd00004[0] + (1) cpd14940[0] <=> (1) cpd00003[0] + (1) cpd12458[0] -1:cpd00004:0:0:"NADH";-1:cpd00067:0:0:"H+";-1:cpd14940:0:0:"(2E)-Octadecenoyl-[acp]";1:cpd00003:0:0:"NAD";1:cpd12458:0:0:"Stearoyl-[acyl-carrier protein]" 0 (1) cpd00004[0] + (1) cpd00067[0] + (1) cpd14940[0] <=> (1) cpd00003[0] + (1) cpd12458[0] (1) NADH[0] + (1) H+[0] + (1) (2E)-Octadecenoyl-[acp][0] <=> (1) NAD[0] + (1) Stearoyl-[acyl-carrier protein][0] > > null null null null -16.55 1.19 cpd12458;cpd00067;cpd00004;cpd14940;cpd00003 OK 0 rxn25720
rxn07580 R07766 octanoyl-[acp]:protein N6-octanoyltransferase (1) cpd11470[0] + (1) cpd14957[0] <=> (1) cpd11493[0] + (1) cpd14953[0] -1:cpd11470:0:0:"Octanoyl-ACP";-1:cpd14957:0:0:"Apoprotein";1:cpd00067:0:0:"H+";1:cpd11493:0:0:"ACP";1:cpd14953:0:0:"Protein N6-(octanoyl)lysine" 0 (1) cpd11470[0] + (1) cpd14957[0] <=> (1) cpd00067[0] + (1) cpd11493[0] + (1) cpd14953[0] (1) Octanoyl-ACP[0] + (1) Apoprotein[0] <=> (1) H+[0] + (1) ACP[0] + (1) Protein N6-(octanoyl)lysine[0] > > null null null null -4.05 1.29 cpd11493;cpd11470;cpd14953;cpd14957 OK 0 null
rxn07581 protein N6-(octanoyl)lysine:sulfur sulfurtransferase protein N6-(octanoyl)lysine:sulfur sulfurtransferase (2) cpd00017[0] + (2) cpd00239[0] + (1) cpd14953[0] <=> (2) cpd00060[0] + (2) cpd03091[0] + (1) cpd14954[0] -2:cpd00017:0:0:"S-Adenosyl-L-methionine";-2:cpd00239:0:0:"H2S";-1:cpd14953:0:0:"Protein N6-(octanoyl)lysine";2:cpd00060:0:0:"L-Methionine";2:cpd00067:0:0:"H+";2:cpd03091:0:0:"5'-Deoxyadenosine";1:cpd14954:0:0:"Protein N6-(lipoyl)lysine" 0 (2) cpd00017[0] + (2) cpd00239[0] + (1) cpd14953[0] <=> (2) cpd00060[0] + (2) cpd00067[0] + (2) cpd03091[0] + (1) cpd14954[0] (2) S-Adenosyl-L-methionine[0] + (2) H2S[0] + (1) Protein N6-(octanoyl)lysine[0] <=> (2) L-Methionine[0] + (2) H+[0] + (2) 5'-Deoxyadenosine[0] + (1) Protein N6-(lipoyl)lysine[0] = = null null null null -10.43 4.73498 cpd03091;cpd00060;cpd00239;cpd00017;cpd14954;cpd14953 HB|CI:2 0 null
Expand Down Expand Up @@ -7982,7 +7982,7 @@ rxn08253 CRNabcpp L-carnitine transport via ABC system (periplasm) (1) cpd00001[
rxn08254 RXN0-3601.c RXN0-3601.c (1) cpd00266[0] + (1) cpd15412[0] <=> (1) cpd00870[0] + (1) cpd15440[0] -1:cpd00266:0:0:"Carnitine";-1:cpd15412:0:0:"gamma-butyrobetainyl-CoA";1:cpd00067:0:0:"H+";1:cpd00870:0:0:"gamma-butyrobetaine";1:cpd15440:0:0:"Carnitinyl-CoA" 0 (1) cpd00266[0] + (1) cpd15412[0] <=> (1) cpd00067[0] + (1) cpd00870[0] + (1) cpd15440[0] (1) Carnitine[0] + (1) gamma-butyrobetainyl-CoA[0] <=> (1) H+[0] + (1) gamma-butyrobetaine[0] + (1) Carnitinyl-CoA[0] = = null null null null 0 2 cpd15440;cpd00870;cpd15412;cpd00266 OK|HB 0 null
rxn08255 CRNCAL2 Carnitine-CoA Ligase (1) cpd00002[0] + (1) cpd00010[0] + (1) cpd00266[0] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd15440[0] -1:cpd00002:0:0:"ATP";-1:cpd00010:0:0:"CoA";-1:cpd00266:0:0:"Carnitine";1:cpd00008:0:0:"ADP";1:cpd00009:0:0:"Phosphate";1:cpd15440:0:0:"Carnitinyl-CoA" 0 (1) cpd00002[0] + (1) cpd00010[0] + (1) cpd00266[0] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd15440[0] (1) ATP[0] + (1) CoA[0] + (1) Carnitine[0] <=> (1) ADP[0] + (1) Phosphate[0] + (1) Carnitinyl-CoA[0] = = null null null null -1.06 1.21 cpd15440;cpd00008;cpd00002;cpd00009;cpd00010;cpd00266 OK 0 null
rxn08256 CARNCOARACE-RXN.c carnitine racemase (1) cpd15440[0] <=> (1) cpd15439[0] -1:cpd00067:0:0:"H+";-1:cpd15440:0:0:"Carnitinyl-CoA";1:cpd15439:0:0:"D-carnitinyl-CoA" 0 (1) cpd00067[0] + (1) cpd15440[0] <=> (1) cpd15439[0] (1) H+[0] + (1) Carnitinyl-CoA[0] <=> (1) D-carnitinyl-CoA[0] = = null null null null 0 2 cpd15439;cpd15440 OK|HB 0 null
rxn08257 CRNCBCT crotonobetainyl-CoA: carnitine CoA transferase (1) cpd00266[0] + (1) cpd15441[0] <=> (1) cpd08305[0] + (1) cpd15440[0] -1:cpd00266:0:0:"Carnitine";-1:cpd15441:0:0:"crotonobetainyl-CoA";1:cpd08305:0:0:"crotonobetaine";1:cpd15440:0:0:"Carnitinyl-CoA" 0 (1) cpd00266[0] + (1) cpd15441[0] <=> (1) cpd08305[0] + (1) cpd15440[0] (1) Carnitine[0] + (1) crotonobetainyl-CoA[0] <=> (1) crotonobetaine[0] + (1) Carnitinyl-CoA[0] < < null null null null 51.05 0.24 cpd15440;cpd08305;cpd15441;cpd00266 MI:C:1/H:3/O:-1|CI:1 0 null
rxn08257 CRNCBCT crotonobetainyl-CoA: carnitine CoA transferase (1) cpd00266[0] + (1) cpd15441[0] <=> (1) cpd08305[0] + (1) cpd15440[0] -1:cpd00266:0:0:"Carnitine";-1:cpd15441:0:0:"crotonobetainyl-CoA";1:cpd08305:0:0:"crotonobetaine";1:cpd15440:0:0:"Carnitinyl-CoA" 0 (1) cpd00266[0] + (1) cpd15441[0] <=> (1) cpd08305[0] + (1) cpd15440[0] (1) Carnitine[0] + (1) crotonobetainyl-CoA[0] <=> (1) crotonobetaine[0] + (1) Carnitinyl-CoA[0] < < null null null null 51.05 0.24 cpd15440;cpd08305;cpd15441;cpd00266 OK 0 null
rxn08258 CARNDETRU-RXN.c CARNDETRU-RXN.c (1) cpd15440[0] <=> (1) cpd00001[0] + (1) cpd15441[0] -1:cpd15440:0:0:"Carnitinyl-CoA";1:cpd00001:0:0:"H2O";1:cpd15441:0:0:"crotonobetainyl-CoA" 0 (1) cpd15440[0] <=> (1) cpd00001[0] + (1) cpd15441[0] (1) Carnitinyl-CoA[0] <=> (1) H2O[0] + (1) crotonobetainyl-CoA[0] = = null null null null 2.16 0.77 cpd00001;cpd15440;cpd15441 OK 0 null
rxn08259 CRNDabcpp D-carnitine transport via ABC system (periplasm) (1) cpd00001[0] + (1) cpd00002[0] + (1) cpd10719[1] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd00067[0] + (1) cpd10719[0] -1:cpd00001:0:0:"H2O";-1:cpd00002:0:0:"ATP";-1:cpd10719:1:0:"D-Carnitine";1:cpd00008:0:0:"ADP";1:cpd00009:0:0:"Phosphate";1:cpd00067:0:0:"H+";1:cpd10719:0:0:"D-Carnitine" 1 (1) cpd00001[0] + (1) cpd00002[0] + (1) cpd10719[1] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd00067[0] + (1) cpd10719[0] (1) H2O[0] + (1) ATP[0] + (1) D-Carnitine[1] <=> (1) ADP[0] + (1) Phosphate[0] + (1) H+[0] + (1) D-Carnitine[0] > > null null null null -6.82 0.72 cpd00008;cpd00001;cpd10719;cpd10719;cpd00002;cpd00067;cpd00009 OK 0 null
rxn08260 CRNDCAL2 D-Carnitine-CoA Ligase (1) cpd00002[0] + (1) cpd00010[0] + (1) cpd10719[0] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd15439[0] -1:cpd00002:0:0:"ATP";-1:cpd00010:0:0:"CoA";-1:cpd00067:0:0:"H+";-1:cpd10719:0:0:"D-Carnitine";1:cpd00008:0:0:"ADP";1:cpd00009:0:0:"Phosphate";1:cpd15439:0:0:"D-carnitinyl-CoA" 0 (1) cpd00002[0] + (1) cpd00010[0] + (1) cpd00067[0] + (1) cpd10719[0] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd15439[0] (1) ATP[0] + (1) CoA[0] + (1) H+[0] + (1) D-Carnitine[0] <=> (1) ADP[0] + (1) Phosphate[0] + (1) D-carnitinyl-CoA[0] = = null null null null -1.06 1.21 cpd00008;cpd10719;cpd00002;cpd15439;cpd00009;cpd00010 OK|HB 0 null
Expand Down
Loading