mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(O)CCl</smiles> is A secondary alcohol that is isopropanol in which one of the methyl hydrogen atoms is substituted by chlorine. It is also related to or classified as secondary alcohol . It is also related to or classified as organochlorine compound .
The molecule <smiles>CC(C(O)=O)c1ccc(cc1)-c1cn2ccccc2n1</smiles> is A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(imidazo[1,2-a]pyridin-2-yl)phenyl group. A non-steroidal anti-inflammatory drug that also exhibits analgesic, antipyretic and platelet aggregation inhibition properties. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of platelet aggregation inhibitor. Its functional parent is propionic acid. It is also related to or classified as monocarboxylic acid, imidazopyridine.
The molecule <smiles>COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCCCO[N+]([O-])=O</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of naproxen with the hydroxy group of 4-(nitrooxy)butanol. A cyclooxygenase-inhibiting nitric oxide donator that is metabolised to naproxen and a nitric oxide donating moiety, effective in treatment of osteoarthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of prodrug. It has the role of nitric oxide donor. Its functional parent is butane-1,4-diol. Its functional parent is naproxen. It is also related to or classified as carboxylic ester . It is also related to or classified as methoxynaphthalene, nitrate ester.
The molecule <smiles>COC1=CC=C2N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C(CC(=O)NO)C2=C1</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of indometacin with the amino group of hydroxylamine. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. Its functional parent is indometacin.   It is also related to or classified as organochlorine compound . It is also related to or classified as hydroxamic acid, aromatic ether, N-acylindole.
The molecule <smiles>C[C@@H](O)[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]1O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-alpha-D-fucofuranose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F</smiles> is A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1. It has the role of non-steroidal anti-inflammatory drug. It has the role of antineoplastic agent. It has the role of cyclooxygenase 1 inhibitor. It has the role of angiogenesis modulating agent. It has the role of apoptosis inducer.   It is also related to or classified as organofluorine compound . It is also related to or classified as pyrazoles, aromatic ether, monochlorobenzenes.
The molecule <smiles>CCC[N+]([O-])=O</smiles> is A nitroalkane that is propane substituted at C-1 by a nitro group. It is also related to or classified as primary nitroalkane .
The molecule <smiles>CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(O)=O)c1</smiles> is an aromatic amino acid that is 2-amino-5-ethylphenylacetic acid in which one of the amino hydrogens is replaced by a 2,3,5,6-tetrafluorophenyl group. A selective cyclooxygenase 2 inhibitor that is used in veterinary medicine for the relief of pain and inflammation in cats and dogs. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of cyclooxygenase 2 inhibitor.   It is also related to or classified as organofluorine compound . It is also related to or classified as phenylacetic acids, aromatic amino acid, secondary amino compound, monocarboxylic acid.
The molecule <smiles>COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid with the amino group of N-methylhydroxylamine. It is used in veterinary medicine for the control of pain and inflammation caused by musculoskeletal disorders such as hip dysplasia and arthritis in dogs. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of lipoxygenase inhibitor. It has the role of immunomodulator. It has the role of apoptosis inhibitor. It is also related to or classified as hydroxamic acid, pyrazoles, aromatic ether, monochlorobenzenes.
The molecule <smiles>CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C</smiles> is A tetracyclic triterpenoid sapogenin (isolated from ginseng) that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 positions and in which a double bond has been introduced at the 24-25 position. It has the role of metabolite. It has the role of antineoplastic agent. It is also related to or classified as 3beta-hydroxy-4,4-dimethylsteroid . It is also related to or classified as sapogenin .   It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as tetracyclic triterpenoid, 12beta-hydroxy steroid.
The molecule <smiles>O[C@@H]1CO[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> is an organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-xyloside; major species at pH 7.3. It is also related to or classified as organic anion.
The molecule <smiles>[O-]C(CCCCCCCCCCCCC([O-])=O)=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of tetradecanedioic acid; major species at pH 7.3. It has the role of human metabolite. It is also related to or classified as saturated dicarboxylic acid dianion(2-) . It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>CC(=O)O[C@H]1C(O)O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H]1O</smiles> is A nucleotide-sugar having ADP as the nucleotide fragment and 2-O-acetyl-D-ribofuranos-5-yl as the sugar component. It is a conjugate acid of 2''-O-acetyl-ADP-D-ribose(2-). It is also related to or classified as nucleotide-sugar .
The molecule <smiles>ClC(Cl)C(Cl)(Cl)Cl</smiles> is A member of the class of chloroethanes that is ethane in which five of the six hydrogens are replaced by chlorines. A non-flammable, high-boiling liquid (b.p. 161-162degreeC) with relative density 1.67 and an odour resembling that of chloroform, it is used as a solvent for oil and grease, in metal cleaning, and in the separation of coal from impurities. It has the role of non-polar solvent. It is also related to or classified as chloroethanes.
The molecule <smiles>O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is apigenin substituted kaempferol in which the hydroxyl hydrogen at position 3 is replaced by a beta-D-xylosyl residue. It has the role of metabolite. Its functional parent is kaempferol. It is a conjugate acid of kaempferol 3-O-beta-D-xyloside(1-).  It is also related to or classified as glycosyloxyflavone . It is also related to or classified as trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>Cc1c(N)cccc1N</smiles> is A diamine that is toluene in which both of the hydrogens ortho- to the methyl group are replaced by amino groups. It has the role of mutagen. It is also related to or classified as diamine . It is also related to or classified as primary amino compound.
The molecule <smiles>CCCCCC\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)n1cnc2c(N)ncnc12</smiles> is A 2,3-trans-enoyl CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of trans-2-nonenoyl-CoA; major species at pH 7.3. It is also related to or classified as 2,3-trans-enoyl CoA(4-) .
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC</smiles> is A D-glucosyl-N-acylsphingosine in which the ceramide N-acyl group is dodecanoyl. It is also related to or classified as beta-D-glucosyl-N-acylsphingosine . It is also related to or classified as D-glucosyl-N-acylsphingosine .
The molecule <smiles>[O-]C(=O)CCCCCCC([O-])=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.  It is also related to or classified as saturated dicarboxylic acid dianion(2-) . It is also related to or classified as suberate.
The molecule <smiles>CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1</smiles> is A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-benzoylglutamic acid with dippropylamine. It is also related to or classified as benzamides, dicarboxylic acid monoamide, glutamine derivative.
The molecule <smiles>C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O</smiles> is A dTDP-sugar having 4-dehydro-6-deoxy-alpha-D-gulose as the sugar component. It is a conjugate acid of dTDP-4-dehydro-6-deoxy-alpha-D-gulose(2-). It is also related to or classified as dTDP-sugar .
The molecule <smiles>[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC=O</smiles> is an oxo fatty acid anion that is the conjugate base of 22-ketodocosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion .  It is also related to or classified as omega-oxo fatty acid anion . It is also related to or classified as aldehydic acid anion.
The molecule <smiles>CC(C(O)=O)c1ccc(C2CCCCC2)c2ccccc12</smiles> is A member of the class of naphthalenes that is propionic acid in which one of the alpha-hydrogens is replaced by a 4-cyclohexyl-1-naphthyl group. Its functional parent is propionic acid. It is also related to or classified as monocarboxylic acid, naphthalenes.
The molecule <smiles>O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O</smiles> is A myo-inositol bisphosphate in which the two phosphate groups are located at positions 3 and 5. It is a conjugate acid of 1D-myo-inositol 3,5-bisphosphate(4-). It is also related to or classified as myo-inositol bisphosphate.
The molecule <smiles>C[C@@H](O)[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]1O</smiles> is A dTDP-sugar having alpha-D-fucofuranose as the sugar component. It is a conjugate acid of dTDP-alpha-D-fucofuranose(2-). It is also related to or classified as dTDP-sugar .
The molecule <smiles>O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O</smiles> is an inositol phosphate oxoanion obtained by deprotonation of the four phosphate OH groups of 1D-myo-inositol 3,5-bisphosphate; major species at pH 7.3. It is also related to or classified as inositol phosphate oxoanion.
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A beta-D-glucosyl-N-acylsphingosine in which the acyl group is specified as (15Z)-tetracosenoyl. It has the role of mouse metabolite. Its functional parent is (15Z)-tetracosenoic acid. It is also related to or classified as beta-D-glucosyl-N-acylsphingosine .
The molecule <smiles>CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C</smiles> is A 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester. It has the role of synthetic oral contraceptive. It has the role of progestin. Its functional parent is norethisterone. It is also related to or classified as acetate ester . It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as terminal acetylenic compound .
The molecule <smiles>[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of docosanedioic acid; major species at pH 7.3. It is also related to or classified as saturated dicarboxylic acid dianion(2-) .
The molecule <smiles>[O-]C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of hexacosanedioic acid; major species at pH 7.3. It is also related to or classified as saturated dicarboxylic acid dianion(2-) .
The molecule <smiles>CCCCCC\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)n1cnc2c(N)ncnc12</smiles> is A 2,3-trans-enoyl CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-nonenoic acid. It is a conjugate acid of trans-2-nonenoyl-CoA(4-).  It is also related to or classified as trans-2-enoyl-CoA . It is also related to or classified as monounsaturated fatty acyl-CoA.
The molecule <smiles>OC(=O)CCCCCCCCCCCCCCCCCCCCC=O</smiles> is A long-chain oxo-fatty acid that is the 22-oxo derivative of docosanoic acid. Its functional parent is docosanoic acid. It is a conjugate acid of 22-oxodocosanoate. It is also related to or classified as long-chain fatty acid . It is also related to or classified as aldehydic acid, omega-oxo fatty acid.
The molecule <smiles>OC(=O)CCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has the role of metabolite. It is a conjugate acid of docosanedioate(2-). It is also related to or classified as dicarboxylic fatty acid, alpha,omega-dicarboxylic acid.
The molecule <smiles>[O-]C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC=O</smiles> is an omega-oxo fatty acid anion that is the conjugate base of 26-oxohexacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as omega-oxo fatty acid anion .
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of dodecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA(5-) .
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of decanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA(5-) .
The molecule <smiles>O=NN1CCCCC1</smiles> is A nitrosamine that is piperidine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. One of the many carcinogens detected in cigarette smoke, it is found in meat, cheese and spices that have been treated with the preservative sodium nitrite. It has the role of mutagen. It has the role of carcinogenic agent. It has the role of apoptosis inducer. It has the role of environmental contaminant. It is also related to or classified as piperidine . It is also related to or classified as nitrosamine .
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of octanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA(5-) .
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of 26-hydroxyhexacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as omega-hydroxy-very-long-chain fatty acid anion .
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is an omega-hydroxy-long-chain fatty acid anion that is the conjugate base of 22-hydroxydocosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as omega-hydroxy-long-chain fatty acid anion .
The molecule <smiles>NC(=O)\C=C/c1ccccc1</smiles> is the Z (cis) isomer of cinnamamide. It is also related to or classified as cinnamamide .
The molecule <smiles>OC(CCCCCCCCCCCCC(O)=O)=O</smiles> is an alpha,omega-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has the role of human metabolite. It is a conjugate acid of tetradecanedioate(2-). It is also related to or classified as dicarboxylic fatty acid, alpha,omega-dicarboxylic acid.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is the omega-hydroxy fatty acid obtained by hydroxylation at position 26 of hexacosanoic acid. It has the role of metabolite. Its functional parent is hexacosanoic acid. It is a conjugate acid of 26-hydroxyhexacosanoate. It is also related to or classified as omega-hydroxy-very-long-chain fatty acid .
The molecule <smiles>O=NN1CCOCC1</smiles> is A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco. It has the role of mutagen. It has the role of carcinogenic agent. It is also related to or classified as nitrosamine .
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of trans-2-octenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion.
The molecule <smiles>CN(C)c1ccc(cc1)\N=N\c1cccc(C)c1</smiles> is A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. It has the role of carcinogenic agent. It is also related to or classified as azobenzenes . It is also related to or classified as tertiary amino compound.
The molecule <smiles>CC(C)O[Si](C)(C)C</smiles> is A silyl ether that is isopropanol in which the hydroxyl hydrogen is replaced by a trimethylsilyl group. Its functional parent is propan-2-ol. It is also related to or classified as silyl ether .
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of 3-oxooctanedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy-long-chain fatty acid obtained by monohydroxylation of the terminal methyl group of docosanoic acid. It has the role of metabolite. Its functional parent is docosanoic acid. It is a conjugate acid of 22-hydroxydocosanoate. It is also related to or classified as omega-hydroxy-long-chain fatty acid .
The molecule <smiles>CC(=O)ON(C(C)=O)c1ccc-2c(Cc3ccccc-23)c1</smiles> is A 2-acetamidofluorene compound in which the parent 2-acetamidofluorene is substituted on nitrogen by an acetoxy group. It has the role of mutagen. It has the role of carcinogenic agent. It is also related to or classified as 2-acetamidofluorenes.
The molecule <smiles>Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n4cnc5c(O)ncnc45)O[C@H]([C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)O[C@H]([C@@H]2O)n2ccc(N)nc2=O)[C@@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@H]1O</smiles> is A tRNA oligonucleotide comprised of a sequence of one inosine, one guanosine, one cytidine, one 1-methylinosine and one uridine residue connected by 3'->5' phosphodiester linkages and with a phosphoric residue at the 3'-terminus.. It is also related to or classified as tRNA oligonucleotide.
The molecule <smiles>C=12C3=C(CC1C=CC=C2NC(=O)C)C=CC=C3</smiles> is A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is replaced by a 9H-fluoren-4-yl group. It has the role of mitogen. It is also related to or classified as acetamides, fluorenes.
The molecule <smiles>NC1CCCNC1=O</smiles> is A delta-lactam that is 2-piperidone substituted at position 3 by an amino group. It has the role of human metabolite.   It is also related to or classified as delta-lactam . It is also related to or classified as piperidones, primary amino compound.
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of (S)-3-hydroxyoctanedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion.
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of trans-2-decenedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion.
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCC([O-])=O</smiles> is an acyl-CoA oxoanion that is the pentaanion of trans-2-dodecenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion.
The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCC(O)=O</smiles> is an alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of dodecanedioic acid. Its functional parent is dodecanedioic acid. It is a conjugate acid of dodecanedioyl-CoA(5-). It is also related to or classified as omega-carboxyacyl-CoA .
The molecule <smiles>OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an alpha,omega-dicarboxylic acid that is hexacosane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It is a conjugate acid of hexacosanedioate(2-). It is also related to or classified as dicarboxylic fatty acid, alpha,omega-dicarboxylic acid.