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Added amino acids

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bilalshaikh42 committed Jul 18, 2018
1 parent d4bf057 commit 1c11a10dcc6ff2e64d5c5433fb6501ab665e2e78
Showing with 1 addition and 14 deletions.
  1. +1 −14 rand_wc_model_gen/data/metabolites.csv
@@ -1,14 +1 @@
Id,Name,Structure (InChI),Intracellular concentration (M),Intracellular concentration source,Extracellular concentration (M),Extracellular concentration source,Database references,Comments
atp,adenosine 5'-triphosphate(4���),"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1",0.0035,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:30616,
ctp,cytidine 5'-triphosphate(4���),"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1",0.0012,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:37563,
gtp,guanosine 5'-triphosphate(4���),"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1",0.0019,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:37565,
utp,uridine 5'-triphosphate(4���),"InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1",0.002,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:46398,
amp,adenosine 5'-monophosphate(2-),"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1",1.51E-04,DOI: 10.1016/S0022-5193(05)80266-8,,,CHEBI: CHEBI:456215,
cmp,cytidine 5'-triphosphate(2���),"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1",3.60E-04,DOI: 10.1038/nchembio.186,,,CHEBI: CHEBI:60377,
gmp,guanosine 5'-triphosphate(2���),"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1",2.40E-05,DOI: 10.1038/nchembio.186,,,CHEBI: CHEBI:58115,
ump,uridine 5'-triphosphate(2���),"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1",1.84E-04,DOI: 10.1007/BF00928361,,,CHEBI: CHEBI:57865,
ppi,diphosphate,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4",0.0005,DOI: 10.1111/j.1432-1033.1982.tb06878.x,,,ChEBI: CHEBI:18361,
h2o,water,InChI=1S/H2O/h1H2,55.5,URL: https://en.wikipedia.org/wiki/Molar_concentration,55.5,,ChEBI: CHEBI:15377,
h,hydrogen(1+),InChI=1S/p+1,2.82E-08,DOI: 10.1128/JB.00615-07,,,ChEBI: CHEBI:15378,
gdp,guanosine 5'-diphosphate,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",5.00E-03,,,,ChEBI: CHEBI:17552,
pi,phosphate,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",5.00E-03,,,,ChEBI: CHEBI:26020,
Id,Name,Structure (InChI),Intracellular concentration (M),Intracellular concentration source,Extracellular concentration (M),Extracellular concentration source,Database references,Commentsatp,adenosine 5'-triphosphate(4���),"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1",0.0035,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:30616,ctp,cytidine 5'-triphosphate(4���),"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1",0.0012,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:37563,gtp,guanosine 5'-triphosphate(4���),"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1",0.0019,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:37565,utp,uridine 5'-triphosphate(4���),"InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1",0.002,DOI: 10.1007/BF00382086,,,ChEBI: CHEBI:46398,amp,adenosine 5'-monophosphate(2-),"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1",0.000151,DOI: 10.1016/S0022-5193(05)80266-8,,,CHEBI: CHEBI:456215,cmp,cytidine 5'-triphosphate(2���),"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1",0.00036,DOI: 10.1038/nchembio.186,,,CHEBI: CHEBI:60377,gmp,guanosine 5'-triphosphate(2���),"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1",2.4E-05,DOI: 10.1038/nchembio.186,,,CHEBI: CHEBI:58115,ump,uridine 5'-triphosphate(2���),"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1",0.000184,DOI: 10.1007/BF00928361,,,CHEBI: CHEBI:57865,ppi,diphosphate,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4",0.0005,DOI: 10.1111/j.1432-1033.1982.tb06878.x,,,ChEBI: CHEBI:18361,h2o,water,InChI=1S/H2O/h1H2,55.5,URL: https://en.wikipedia.org/wiki/Molar_concentration,55.5,,ChEBI: CHEBI:15377,h,hydrogen(1+),InChI=1S/p+1,2.82E-08,DOI: 10.1128/JB.00615-07,,,ChEBI: CHEBI:15378,gdp,guanosine 5'-diphosphate,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",0.005,,,,ChEBI: CHEBI:17552,pi,phosphate,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",0.005,,,,ChEBI: CHEBI:26020,ala,alanine,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",0.0026,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16977,arg,arginine,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",0.00057,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16467,asp,aspartate,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",0.0042,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17053,asn,aspargine,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",0.00051,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17196,cys,cysteine,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",0.00037,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17561,gln,glutamine,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",0.0038,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:18050,glu,glutamate,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",0.096,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16015,gly,glycine,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",0.0031,Assumed:,,,ChEBI: CHEBI:15428,his,histadine,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",6.80E-05,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:15971,ile,isoleucine,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",3.00E-04,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17191,leu,leucine,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",3.00E-04,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:15603,lys,lysine,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",4.10E-04,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:18019,met,methionine,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",1.50E-04,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16643,phe,phenylalanine,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1",1.80E-05,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17295,pro,proline,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",3.90E-04,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17203,ser,serine,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",6.80E-05,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17115,thr,threonine,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1",1.80E-04,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16857,trp,tryptophan,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",1.20E-05,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16828,tyr,tyrosine,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",2.90E-05,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:17895,val,valine,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",4.00E-03,DOI:10.1038/nchembio.186,,,ChEBI: CHEBI:16414,

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