anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H](CCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#35. It is also related to or classified as organic molecular entity .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3Cl NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3Cl is major microspecies at pH 7.3. Its functional parent is 2'-deoxyadenosine 5'-monophosphate(2-) . It is also related to or classified as organochlorine compound  .
The molecule CN(CCCC(O)=O)N=O CN(CCCC(O)=O)N=O is A nitrosamine that has methyl and 3-carboxypropyl substituents. It is a tobacco-derived nitrosamino acid that is a known animal and potential human carcinogen. It induces bladder transitional cell carcinomas in rats and has recently been identified as a contaminant in certain blood pressure medications. It has the role of carcinogenic agent . It has the role of xenobiotic metabolite . It has the role of plant metabolite . It has the role of rat metabolite .  It is also related to or classified as nitrosamine  . It is also related to or classified as monocarboxylic acid .
The molecule OC[C@@H](NC(=O)C=1C(O)=CC=CC1)C(O)=O OC[C@@H](NC(=O)C=1C(O)=CC=CC1)C(O)=O is Madurastatin B2. Its functional parent is N-benzoylglycine . It is also related to or classified as N-acylglycine  .
The molecule C[C@H](CCCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,19R)-19-hydroxyicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,19R)-19-hydroxyicos-2-enoic acid . It is a conjugate acid of ascr#35(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule [C@H](C(C([O-])=O)=O)(C(C)C)C [C@H](C(C([O-])=O)=O)(C(C)C)C is major microspecies at pH 7.3. It is also related to or classified as zwitterion  . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule [59Co] [59Co] is A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2. It is also related to or classified as cobalt atom  .
The molecule [C@@]12([N+]3(CC[C@H]1OC(/C(/CC(=C)[C@](C(OCC2=CC3)=O)(OC(=O)C)C)=C\C)=O)[O-])[H] [C@@]12([N+]3(CC[C@H]1OC(/C(/CC(=C)[C@](C(OCC2=CC3)=O)(OC(=O)C)C)=C\C)=O)[O-])[H] is A pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group and the tertiary amino function has been oxidised to the corresponding N-oxide. It has the role of Jacobaea metabolite . Its functional parent is seneciphylline . It is also related to or classified as tertiary amine oxide  .   It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone , olefinic compound .
The molecule C[C@H](CCCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#35. It is also related to or classified as organic molecular entity .
The molecule C1CC(C(C=C1)O)O C1CC(C(C=C1)O)O is cyclohex-3-ene-1,2-diol. Its functional parent is 3,4-epoxy-1-cyclohexene . It is also related to or classified as ethanediol derivative  . It is also related to or classified as cycloalkene  .
The molecule O=C(NC(C)C(O)=O)C=1C(N)=CC=CC1 O=C(NC(C)C(O)=O)C=1C(N)=CC=CC1 is 2-[(2-Aminobenzoyl)amino]propanoic acid. Its functional parent is N-benzoylglycine . It is also related to or classified as N-acylglycine  .
The molecule C[C@H](CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#34-CoA. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(O[C@@]12C(C)=O)c1ccccc1 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(O[C@@]12C(C)=O)c1ccccc1 is A 20-oxo steroid that is the cyclic ketal resulting from the formal condensation of the hydroxy groups of algestone with acetophenone. Its functional parent is algestone .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid , cyclic ketal .
The molecule [55Mn] [55Mn] is A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2. It is also related to or classified as manganese atom  .
The molecule C[C@H](CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#34. It is also related to or classified as organic molecular entity .
The molecule B1NBNBN1 B1NBNBN1 is borazine. It is also related to or classified as inorganic heterocyclic compound , inorganic aromatic compound .
The molecule OC12C3(C(CC4C(C4(C)C)C(C3=O)C=C(C1OC(=O)/C=C/C=C/C=C\CCC)COC(=O)C)C)C=C(C2O)C OC12C3(C(CC4C(C4(C)C)C(C3=O)C=C(C1OC(=O)/C=C/C=C/C=C\CCC)COC(=O)C)C)C=C(C2O)C is Ingenol O-Decatrienoyl, O-Ac or isomer putative. It is also related to or classified as diterpenoid  .
The molecule C1(CC=[N+](O)[O-])=CC=C(C=C1)O C1(CC=[N+](O)[O-])=CC=C(C=C1)O is an aci-nitro compound resulting from the formal tautomerisation of the nitro group of p-(2-nitroethyl)phenol. It is also related to or classified as aci-nitro compound  . It is also related to or classified as phenols  .
The molecule C[C@H](CCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (18R)-18-hydroxynonadecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (18R)-18-hydroxynonadecanoic acid . It is a conjugate acid of ascr#34(1-) . It is also related to or classified as monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule [NH3+][C@@H]([C@H](O)CO)C([O-])=O [NH3+][C@@H]([C@H](O)CO)C([O-])=O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-hydroxy-L-threonine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(OS(=O)(=O)O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(OS(=O)(=O)O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5 BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(OS(=O)(=O)O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(OS(=O)(=O)O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5 is Crobetabyanol B.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule C1=CC=CC=2C(=CNC12)CC=[N+](O)[O-] C1=CC=CC=2C(=CNC12)CC=[N+](O)[O-] is an aci-nitro compound resulting from the formal tautomerisation of the nitro group of 3-(2-nitroethyl)indole. It is also related to or classified as aci-nitro compound  . It is also related to or classified as indoles .
The molecule C[C@H](CCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#34. It is also related to or classified as organic molecular entity .
The molecule OC(=O)CCCCCCCCCCCCCCCF OC(=O)CCCCCCCCCCCCCCCF is 16-Fluorohexadecanoic acid. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as fluoro fatty acid .
The molecule O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OC(C(O)C(O)C6O)C)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OC(C(O)C(O)C7OC8OCC(O)C(O)C8OC9OC(C(O)C(O)C9O)C)C(O)=O O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OC(C(O)C(O)C6O)C)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OC(C(O)C(O)C7OC8OCC(O)C(O)C8OC9OC(C(O)C(O)C9O)C)C(O)=O is Soyasapogenol B base + O-HexA-dHex-dHex-Pen. It is also related to or classified as triterpenoid saponin .
The molecule COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c2c1=O COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c2c1=O is A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as flavonoid oxoanion .
The molecule N[C@@H](CCC(=O)N[C@@H](CS\C(=N\O)\CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O)C(=O)O N[C@@H](CCC(=O)N[C@@H](CS\C(=N\O)\CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O)C(=O)O is A glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by an N-hydroxy-2-(indol-3-yl)ethanimidoyl group. It is a conjugate acid of (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1-) . It is also related to or classified as N-hydroxyimidothioate  . It is also related to or classified as glutathione conjugate , indoles .
The molecule C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#33-CoA. It is also related to or classified as organic molecular entity .
The molecule C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC([O-])=O)=O C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC([O-])=O)=O is major microspecies at pH 7.3.  It is also related to or classified as guanidinium ion  . It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as dipeptide zwitterion  . It is also related to or classified as alpha-amino-acid cation .
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CS\C(=N\O)\CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)[O-])C(=O)[O-] [NH3+][C@@H](CCC(=O)N[C@@H](CS\C(=N\O)\CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)[O-])C(=O)[O-] is an S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate. Major microspecies at pH 7.3. It is also related to or classified as S-substituted glutathione(1-)  .
The molecule P(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC=3C(=NC=NC32)N)([O-])O[C@H]4[C@@H](O[C@@H]([C@H]4O)COP(=O)([O-])[O-])N5C=NC=6C(NC(=NC65)N)=O P(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC=3C(=NC=NC32)N)([O-])O[C@H]4[C@@H](O[C@@H]([C@H]4O)COP(=O)([O-])[O-])N5C=NC=6C(NC(=NC65)N)=O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of pGp[2'-5']A; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#33. It is also related to or classified as organic molecular entity .
The molecule [O-]C(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC([O-])=O)c(CCC([O-])=O)c5CC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O [O-]C(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC([O-])=O)c(CCC([O-])=O)c5CC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O is the cyclic tetrapyrrole anion that is the octacarboxylate anion of uroporphyrinogen I. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule NC(=O)C1=NC(F)=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C1=O NC(=O)C1=NC(F)=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C1=O is A nuceloside analogue in which the nucleobase is favipiravir. It is a RNA-dependent RNA polymerase inhibitor which exhibits anti-influenza and anti-coronaviral activities. It has the role of anticoronaviral agent . It has the role of EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor . It has the role of antiviral drug . Its functional parent is favipiravir . It is also related to or classified as primary carboxamide  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazinone , nucleoside analogue , organic triphosphate .
The molecule C(\CC)=C\CC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O1 C(\CC)=C\CC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O1 is an EpETE obtained by formal epoxidation of the 14,15-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is a conjugate acid of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoate . It is also related to or classified as EpETE .
The molecule C[C@H](CCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,18R)-18-hydroxynonadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,18R)-18-hydroxynonadec-2-enoic acid . It is a conjugate acid of ascr#33(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule CCC(O)CCCCCCCCC(O)=O CCC(O)CCCCCCCCC(O)=O is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 10. Its functional parent is dodecanoic acid . It is a conjugate acid of 10-hydroxylaurate .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy fatty acid .
The molecule S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OCC)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OCC)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O is Epicoccin S. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [75As] [75As] is A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2. It is also related to or classified as arsenic atom  .
The molecule C(\CC)=C\CC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)[O-])O1 C(\CC)=C\CC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)[O-])O1 is an EpETE(1-) that is the conjugate base of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate . It is also related to or classified as EpETE(1-) .
The molecule C[C@H](CCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#33. It is also related to or classified as organic molecular entity .
The molecule O[C@@H]([C@@H](O)C(O)/C=C\C/C=C\CCCC(O)=O)C/C=C\CCCCC O[C@@H]([C@@H](O)C(O)/C=C\C/C=C\CCCC(O)=O)C/C=C\CCCCC is (5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC([C@H](CCCC[NH3+])[NH3+])=O)[O-])[C@@H](O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC([C@H](CCCC[NH3+])[NH3+])=O)[O-])[C@@H](O)[C@H]3O is L-lysyl-5'-AMP(1+). Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino nonasaccharide consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues, all linked (1->4), to the N-acetyl-beta-D-glucosamine at the reducing of which is also linked (1->6) an L-fucose residue, while the mannose residue carries N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl and N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl units via (1->6) and (1->3) glycosidic linkages respectively. It is also related to or classified as amino nonasaccharide .
The molecule OCCON1CCOCC1 OCCON1CCOCC1 is A member of the class of morpholines that is morpholine in which the amino group is substituted by a 2-hydroxyethoxy group. It has the role of mouse metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as morpholines , tertiary amino compound .
The molecule C(\CC)=C\C/C=C\CC1C(C/C=C\C/C=C\CCCC(=O)O)O1 C(\CC)=C\C/C=C\CC1C(C/C=C\C/C=C\CCCC(=O)O)O1 is an EpETE obtained by formal epoxidation of the 11,12-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is a conjugate acid of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate . It is also related to or classified as EpETE .
The molecule C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#32-CoA. It is also related to or classified as organic molecular entity .
The molecule [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C is an azabicyclohexane that is (1R,5S)-3-azabicyclo[3.1.0]hexane substituted by {(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}aminoacyl, 3-methyl-N-(trifluoroacetyl)-L-valinamide, methyl and methyl groups at positions 2S, 3, 6 and 6, respectively. It is the first orally administered inhibitor of SARS-CoV-2 main protease developed by Pfizer and used in combination with ritonavir for the treatment of COVID-19. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as nitrile  . It is also related to or classified as organofluorine compound  .  It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as azabicyclohexane , pyrrolidinecarboxamide .
The molecule C(\CC)=C\C/C=C\CC1C(C/C=C\C/C=C\CCCC(=O)[O-])O1 C(\CC)=C\C/C=C\CC1C(C/C=C\C/C=C\CCCC(=O)[O-])O1 is an EpETE(1-) that is the conjugate base of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate . It is also related to or classified as EpETE(1-) .
The molecule C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#32. It is also related to or classified as organic molecular entity .
The molecule O1C2C3C4(NC(=[NH+]C3O)N)C(O)[C@](OC1([O-])[C@H]4O)(C2(O)CO)[H] O1C2C3C4(NC(=[NH+]C3O)N)C(O)[C@](OC1([O-])[C@H]4O)(C2(O)CO)[H] is (11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate. Its functional parent is tetrodotoxin . It is also related to or classified as quinazoline alkaloid .
The molecule CCCCCC\C=C/CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N CCCCCC\C=C/CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N is A long-chain (3S)-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (3S,7Z)-3-hydroxytetradec-7-enoyl-CoA; major species at pH 7.3. It is also related to or classified as long-chain (3S)-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O is A thiosugar that is beta-D-glucopyranose in which the hydroxy group at position 1 is replaced by a sulfanyl group. Its functional parent is beta-D-glucose . It is also related to or classified as thiol  . It is also related to or classified as monosaccharide derivative , thiosugar .
The molecule CCOC(CCCCCCCCCCCN(C)C(CO[C@@](C)([H])[C@](C)([H])OCC(N(C)CCCCCCCCCCCC(=O)OCC)=O)=O)=O CCOC(CCCCCCCCCCCN(C)C(CO[C@@](C)([H])[C@](C)([H])OCC(N(C)CCCCCCCCCCCC(=O)OCC)=O)=O)=O is Calcium ionophore I. It has the role of calcium ionophore . It is also related to or classified as organic molecular entity .
The molecule C[C@H](CCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (17R)-17-hydroxystearic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (R)-17-hydroxyoctadecanoic acid . It is a conjugate acid of ascr#32(1-) . It is also related to or classified as monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule O(C[C@H](NC(=O)C1=C(O)C(O)=CC=C1)C(OC[C@H](NC(=O)C2=C(O)C(O)=CC=C2)C(O)=O)=O)C(=O)[C@@H](NC(=O)C3=C(O)C(O)=CC=C3)CO O(C[C@H](NC(=O)C1=C(O)C(O)=CC=C1)C(OC[C@H](NC(=O)C2=C(O)C(O)=CC=C2)C(O)=O)=O)C(=O)[C@@H](NC(=O)C3=C(O)C(O)=CC=C3)CO is N,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine. Its functional parent is N-benzoylglycine . It is also related to or classified as N-acylglycine  .