fmod CHEMICALOPS is inc THEOPS . 


*** Chemical-------------------------------------------------------------------

*** a-------------------------------------------------------------------------a

op ADP : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"ADP\")\
   (IUPAC \"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid\")\
   (kegg-id C00008)\
   (Reactome-id REACT_2741.1)\
   (CID 6022)\
   (SID 3310)\
   (smiles \"C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))\")\
   (synonyms \"adenosine pyrophosphate \"\
             \"adenosine 5'-pyrophosphate \"\
             \"adenosine-5'-diphosphate \"\
             \"adenosine-diphosphate \"\
             \"adenosine-5-diphosphate\"))"] .

op AMP : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"AMP\")\
   (IUPAC \"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid\")\
   (kegg-id C00020)\
   (Reactome-id REACT_2677.2)\
   (CID 6083)\
   (SID 3322)\
   (smiles \"C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))\")\
   (synonyms \"adenosine-5'-phosphate \"\
             \"adenosine-phosphate \"\
             \"5'-AMP \"\
             \"adenosine-monophosphate \"\
             \"adenylic acid \"\
             \"adenosine 5'-monophosphate \"\
             \"adenylate \"\
             \"5'-adenylic acid \"\
             \"5'-adenosine monophosphate \"\
             \"adenosine 5'-phosphate\"))"] .

op ATP : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"ATP\")\
   (IUPAC \"[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid\")\
   (kegg-id C00002)\
   (Reactome-id REACT_2812.1)\
   (CID 5957)\
   (SID 3304)\
   (smiles \"C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))\")\
   (synonyms \"adenylpyrophosphate\"\
             \"adenosine-triphosphate\"\
             \"adenosine-5'-triphosphate\"))"] .

*** c-------------------------------------------------------------------------c    

op CO2 : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"CO2\")\
   (IUPAC \"carbon dioxide\")\
   (kegg-id C00011)\
   (Reactome-id REACT_2373.1)\
   (CID 280)\
   (SID 3313)\
   (smiles \"C(=O)=O\")\
   (synonyms \"carbonic anhydride \"\
             \"carbonic acid gas\"))"] .  

op CoA : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"CoA\")\
   (IUPAC \"2-acetyloxybenzoic acid\")\
   (kegg-id C00010)\
   (Reactome-id REACT_2732.1)\
   (CID 2244)\
   (SID 3312)\
   (smiles \"CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O )=O)N2(c3(c(N=C2)c(N)ncn3))) \")\
   (synonyms \"co-A-SH \"\
             \"co-enzyme-A \"\
             \"co-A \"\
             \"HS-CoA\"))"] .
             
op acetyl-CoA : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"acetyl-CoA\")\
   (IUPAC \"[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] phosphate\")\
   (kegg-id C00024)\
   (CID 45266541)\
   (SID 2093)\
   (smiles \"CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] \")\
   (synonyms \"acetyl coenzyme-A \"\
             \"ac-CoA \"\
             \"acetylcoenzyme-A \"\
             \"ac-S-CoA \"\
             \"acetyl-S-CoA\"))"] .
             
op malonyl-CoA : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"malonyl-CoA\")\
   (IUPAC \" 3-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoicacid\")\
   (kegg-id C00083)\
   (CID 10663)\
   (SID 3383)\
   (smiles \"C(NC(=O)CCNC(C(O)C(COP(=O)(OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)OP([O-])(=O)[O-]))[O-])(C)C)=O)CSC(=O)CC(=O)[O-] \")\
   (synonyms \"MALONYL COENZYME A \"\
             \"S-(Hydrogen malonyl)coenzyme A\"\
             \"omega-Carboxyacyl-CoA\"\
             \"Coenzyme A S-(hydrogen propanedioate)\"))"] .
             
op cerotoyl-CoA : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"cerotoyl-CoA\")\
   (IUPAC \"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexacosanethioate\")\
   (CID 25246198)\
   (SID 85164749)\
   (smiles \"C3(N=C(C1(=C(N(C=N1)C2(OC(C(OP([O-])(=O)[O-])C(O)2)COP(=O)(OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[O-])[O-]))N=3))N)\")\
   (synonyms \"cerotoyl-coenzyme A \"\
             \"C26:0-coenzyme A\"\
             \"hexacosanoyl-coenzyme A\"\
             \"C26:0-CoA\"\
             \"26:0 CoA \"\
             \"hexacosanoyl-CoA (N-C26:0CoA)\"))"] .
             
op 2-carboxyl-cerotoyl-CoA : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"2-carboxyl-cerotoyl-CoA\")\
   (IUPAC \"2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]hexacosanoate\")\
   (CID 46173201)\
   (SID 57392031)\
   (smiles \"C3(N=C(C1(=C(N(C=N1)C2(OC(C(OP([O-])(=O)[O-])C(O)2)COP(=O)(OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)[O-])[O-]))N=3))N)\")\
   (synonyms \"2-carboxyl-cerotoyl-coenzyme A\"))"] .
   
op arachidoyl-CoA : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"arachidoyl-CoA\")\
   (IUPAC \"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl]icosanethioate\")\
   (CID 3081439)\
   (SID 3882537)\
   (smiles \"CCCCCCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O \")\
   (synonyms \"Coenzyme A S-eicosanoate \"\
              \"Arachidoyl-coenzyme A\"))"] .
             
*** e-------------------------------------------------------------------------e

op activated-Ethionamide : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"Ethionamide\")\
   (IUPAC \"2-ethylpyridine-4-carbothioamide\")\
   (kegg-id C07665)\
   (CID 2761171)\
   (SID 9867)\
   (smiles \"CCC1=NC=CC(=C1)C(=S)N\")\
   (drugbank-id APRD00961)\
   (kegg drug-id \"D00591\")\
   (comment \"Ethionamide (ETH) = drug \")\
   (synonyms \"Thioamide \"\
             \"Ethioniamide \"\
             \"Ethyonomide \"\
             \"Etioniamid \"\
             \"Etionizina \"\
             \"Etionizine \"\
             \"Fatoliamid \"\
             \"Isotiamida \"\
             \"Trescazide\"))"] .
*** h-------------------------------------------------------------------------h

op H+ : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"H+\")\
   (IUPAC \"hydrogen(+1)cation\")\
   (kegg-id C00080)\
   (Reactome-id )\
   (CID 1038)\
   (SID 3380)\
   (smiles \"[H+1]\")\
   (synonyms \"hydrogen ion \"\
             \"proton\"))"] .
             
op H2O : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"H2O\")\
   (IUPAC \"oxidane\")\
   (kegg-id C00001)\
   (Reactome-id REACT_3683.1)\
   (CID 962)\
   (SID 3303)\
   (smiles \"[OH2]\")\
   (synonyms \"hydrogen oxide \"\
             \"water\"))"] .  
             
op hydrazine : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"hydrazine\")\
   (IUPAC \"hydrazine\")\
   (kegg-id C05361)\
   (Reactome-id )\
   (CID 9321)\
   (SID 7738)\
   (smiles \"NN\")\
   (synonyms ))"] .    
             
*** i-------------------------------------------------------------------------i

op Isoniazid : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"Isoniazid\")\
   (IUPAC \"pyridine-4-carbohydrazide\")\
   (kegg-id C07054)\
   (CID 3767)\
   (SID 9266)\
   (smiles \"C1=CN=CC=C1C(=O)NN\")\
   (drugbank-id \"APRD01055\")\
   (kegg drug-id \"D00346\")\
   (comment \"Isoniazid (INH)  = Isonicotinic acid hydrazide = drug\")\
   (synonyms \"Nydrazid \"\
             \"Nicotibina \"\
             \"Andrazide \"\
             \"Cotinazin \"\
             \"Dinacrin \"\
             \"Neoteben \"\
             \"Nicizina \"\
             \"Nicozide \"\
             \"Pycazide\"))"] .
             
op Isonicotinic-acyl-anion : -> Chemical [metadata "(\
   (category smallmolecule)\
   (comment \"isonicotinic acyl anion and/ isonicotinic acyl radical = activated form of isoniazid  \"\
            \"KatG, a catalase-peroxidase oxidzes INH to the activated intermediate by increasing the rate of conversion of Mn2+ to Mn3+ ions. [9417034(D)] \"))"] .
            
*** m-------------------------------------------------------------------------m

op Mn2+ : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"Mn2+\")\
   (IUPAC \"manganese\")\
   (kegg-id C00034)\
   (CID 23930)\
   (SID 3336)\
   (smiles \"[Mn+2]\")\
   (synonyms \"manganese ion \"\
            \"Mn(II) \"\
            \"Mn+2 \"\
            \"Mn++ \"\
            \"manganese (II) ion\"))"] .        
            
op Mn3+ : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"Mn3+\")\
   (IUPAC \"manganese(+3) cation\")\
   (kegg-id C00034)\
   (CID 105130)\
   (SID 3336)\
   (smiles \"[Mn+3]\")\
   (synonyms \"Manganese(3+) \"\
            \"manganic ion \"\
            \"Manganese(3+)ions \"\
            \"Manganese(3+), ion\"\
            \"manganese(3+) ion\"\
            \"Manganese ion(3+)\"\
            \"manganese(III) cation\"\
            \"Mn(III)\"\
            \"Manganese, ion(Mn3+)\"\
            \"MANGANESE (III) ION\"))"] .
            
*** n-------------------------------------------------------------------------n

op NAD+ : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"NAD+\")\
   (IUPAC \"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid\")\
   (kegg-id C00003)\
   (Reactome-id REACT_5381.1)\
   (CID 5893)\
   (SID 3305)\
   (smiles \"c1([n+1](cc(C(=O)N)cc1)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c5(c(nc4)c(N)ncn5)))))\")\
   (synonyms \"beta-nicotinamide adenine dinucleotide \"\
             \"coenzyme I \"\
             \"diphosphopyridine nucleotide\"\
             \"diphosphopyridine nucleotide oxidized\"\
             \"nicotinamide adenine dinucleotide \"\
             \"nicotinamide adenine dinucleotide oxidized \"\
             \"NAD-oxidized \"\
             \"beta-nicotinamide adenine dinucleotide \"\
             \"NAD-ox\"\
             \"DPN+\"\
             \"DPN-ox\"\
             \"DPN\"\
             \"NAD\"))"] .

op NADH : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"NADH\")\
   (IUPAC \"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid\")\
   (kegg-id C00004)\
   (Reactome-id REACT_5115.1)\
   (CID 439153)\
   (SID 3306)\
   (smiles \"C([CH]1(O[CH]([CH](O)[CH]1O)N2(C=C(C(=O)N)[CH2]C=C2)))OP(=O)(O)OP(=O)(O)OC[CH]3( O[CH]([CH](O)[CH](O)3)n4(c5(c(nc4)c(N)ncn5)))\")\
   (synonyms \"NADH2 \"\
             \"dihydrodiphosphopyridine nucleotide \"\
             \"diphosphopyridine nucleotide reduced \"\
             \"dihydronicotinamide adenine dinucleotide \"\
             \"nicotinamide adenine dinucleotide reduced \"\
             \"NAD-reduced \"\
             \"NADH+H+\"\
             \"DPNH\"))"] .

op NADP+ : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"NADP+\")\
   (IUPAC \"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid\")\
   (kegg-id C00006)\
   (Reactome-id REACT_4609.1)\
   (CID 5886)\
   (SID 3308)\
   (smiles \"C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)[n+1]5(cc(C(N)=O)ccc5))\")\
   (synonyms \"coenzyme II \"\
             \"triphosphopyridine nucleotide\"\
             \"nicotinamide adenine dinucleotide phosphate\"\
             \"NADP-oxidized\"\
             \"NADP-ox \"\
             \"NADP+ \"\
             \"nicotinamide adenine dinucleotide-P \"\
             \"TPN \"\
             \"TPN+\"\
             \"TPN-ox\"\
             \"NADP(+)\"\
             \"NADP\"))"] .
             
op NADPH : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"NADPH\")\
   (IUPAC \"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid\")\
   (kegg-id C00005)\
   (Reactome-id REACT_2991.1)\
   (CID 5884)\
   (SID 3307)\
   (smiles \"C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)N5(C=C(C(N)=O)CC=C5))\")\
   (synonyms \"Nicotinamide adenine dinucleotide phosphate - reduced \"\
             \"NADPH+H+ \"\
             \"NADPH2\"\
             \"dihydrotriphosphopyridine nucleotide\"\
             \"dihydrotriphosphopyridine nucleotide reduced\"\
             \"dihydronicotinamide adenine dinucleotide phosphate \"\
             \"dihydronicotinamide adenine dinucleotide phosphate reduced \"\
             \"NADP-reduced \"\
             \"NADP-red\"\
             \"NADPH+H+\"\
             \"TPNH\"\
             \" dihydronicotinamide adenine dinucleotide-P\"\
             \"NADP(H)\"))"] .
             
*** p-------------------------------------------------------------------------p

op phosphate : -> Chemical [metadata "(\
   (category smallmolecule)\
   (common-name \"phosphate\")\
   (IUPAC \"phosphoric acid\")\
   (kegg-id C00009)\
   (Reactome-id REACT_2728.1)\
   (CID 1004)\
   (SID 3311)\
   (smiles \"P([O-1])([O-1])(=O)[O-1]\")\
   (synonyms \"inorganic phosphate \"\
             \"phosphate-inorganic\"\
             \"Pi \"\
             \"orthophosphate \"\
             \"PO43- \"\
             \"HPO42- - \"\
             \"HPO4-2\"))"] .


*** lipid -------------------------------------------------------------------

op alpha-meroacyl-AMP : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-cis-keto-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-cis-methoxy-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-cis-methoxy-mycolyl-trehalose-6-phosphate : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-cis-keto-mycolyl-trehalose-6-phosphate : -> Chemical [metadata "(\
   (category Lipid))"] .

op 6-O-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-mycolyl-trehalose-6-phosphate : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-trans-keto-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-trans-keto-mycolyl-trehalose-6-phosphate : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-trans-methoxy-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op 6-O-trans-methoxy-mycolyl-trehalose-6-phosphate : -> Chemical [metadata "(\
   (category Lipid))"] .     
   
op acetyl-CoA : -> Chemical [metadata "(\
   (category Lipid)\
   (common-name \"acetyl-CoA\")\
   (IUPAC \"[2-[[[[3-[2-(2-acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid\")\
   (kegg-id C00024)\
   (Reactome-id REACT_2630.1)\
   (CID 6302)\
   (SID 3326)\
   (LM_ID LMFA07050029)\
   (smiles \"[CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(C)=O)\")\
   (synonyms \"acetyl coenzyme-A \"\
             \"ac-CoA \"\
             \"acetylcoenzyme-A \"\
             \"acetyl-S-CoA \"\
             \"ac-S-CoA\"))"] .
             
 op alpha-meroacyl-AMP  : -> Chemical [metadata "(\
    (category Lipid))"] .
    
 op arabinogalactan : -> Chemical [metadata "(\
   (category Lipid)\
   (common-name \"arabinogalactan\")\
   (kegg-id )\
   (LM_ID )\
   (SID 406297)\
   (synonyms ))"] . 
   
op arabinogalactan-mycolate : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op arabinogalactan-cis-methoxy-mycolate : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op arabinogalactan-trans-methoxy-mycolate : -> Chemical [metadata "(\
   (category Lipid))"] .
   
op arabinogalactan-cis-keto-mycolate : -> Chemical [metadata "(\
   (category Lipid))"] .

op arabinogalactan-trans-keto-mycolate : -> Chemical [metadata "(\
   (category Lipid))"] .
      
op cis-methoxy-meroacyl-AMP  : -> Chemical [metadata "(\
    (category Lipid))"] .
    
op cis-keto-meroacyl-AMP  : -> Chemical [metadata "(\
    (category Lipid))"] .
    
op D-mannopyranosyl-1-phosphoheptaprenol : -> Chemical [metadata "(\
   (category Lipid)\
   (synonyms \"myc-Pl \"))"] .
    
op D-mannosyl-phosphoryl-heptaprenol : -> Chemical [metadata "(\
   (category Lipid)\
   (synonyms \"man-P-heptaprenol \"))"] .
    
op trans-methoxy-meroacyl-AMP  : -> Chemical [metadata "(\
    (category Lipid))"] .
    
op trans-keto-meroacyl-AMP  : -> Chemical [metadata "(\
    (category Lipid))"] .
            
op trehalose  : -> Chemical [metadata "(\
   (category Lipid)\
   (common-name \"trehalose\")\
   (IUPAC \"2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol\")\
   (kegg-id )\
   (LM_ID )\
   (SID 3231)\
   (CID 1143)\
   (smiles \"C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O\")\
   (synonyms \"alpha,alpha-trehalose \"\
             \"alpha-D-glucopyranosyl-alpha-D-glucopyranoside\"))"] .      
      
op trehalose-6-phosphate : -> Chemical [metadata "(\
   (category Lipid)\
   (common-name \"trehalose 6-phosphate\")\
   (IUPAC \"[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid\")\
   (kegg-id )\
   (LM_ID )\
   (SID 3232)\
   (CID 1144)\
   (smiles \"C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O\")\
   (synonyms \"TREHALOSE-6P\"\
             \"alpha,alpha-trehalose 6-phosphate \"))"] .
   
op trehalose-mono-mycolate : -> Chemical [metadata "(\
   (category Lipid)\
   (common-name \"trehalose-mono-mycolate\")\
   (IUPAC \"[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl (E)-3-hydroxy-2-tetradecyl-octadec-11-enoate\")\
   (kegg-id C04218)\
   (LM_ID LMFA01160001)\
   (smiles \"CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O\")\
   (SID 24701175 6891)\
   (CID 5280660)\
   (synonyms \"TMM\"))"] .

op trehalose-cis-methoxy-mono-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .

op trehalose-cis-keto-mono-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .
    
op trehalose-cis-keto-di-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .
        
op trehalose-cis-methoxy-di-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .

op trehalose-di-mycolate : -> Chemical [metadata "(\
   (category Lipid)\
   (common-name \"trehalose-di-mycolate\")\
   (IUPAC \"[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]hexacosanoyloxymethyl]oxan-2-yl]oxy-oxan-2-yl]methyl 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoate\")\
   (smiles \"CCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O\")\
   (SID 596527 3747306)\
   (CID 451713)\
   (synonyms \"Mycobacterial trehalose dimycolate \"\
             \"TDM \"\
             \"Cord factor\"))"] . 
    
op trehalose-trans-methoxy-mono-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .

op trehalose-trans-keto-mono-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .

op trehalose-trans-keto-di-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .
    
op trehalose-trans-methoxy-di-mycolate : -> Chemical [metadata "(\
    (category Lipid))"] .
    

endfm
