anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCCCCCCCCCO)CCCCCCCCCC(=O)O is an omega-hydroxy-long-chain fatty acid that is henicosanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It is a straight-chain saturated fatty acid and an omega-hydroxy-long-chain fatty acid. It derives from a henicosanoic acid. It is a conjugate acid of a 21-hydroxyhenicosanoate.
The molecule NC1=C(C=C(Cl)C=C1)C(O)=O NC1=C(C=C(Cl)C=C1)C(O)=O is A member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by amino and chloro groups, respectively. It is also related to or classified as aminobenzoic acid , chlorobenzoic acid , monochlorobenzenes .
The molecule CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31 is a member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease. It has a role as a muscarinic antagonist, an antiparkinson drug, a histamine antagonist, an adrenergic antagonist and an antidyskinesia agent. It is a member of phenothiazines and a tertiary amino compound.
The molecule C(=O)(C1=CC=C(C=C1)O)OCC C(=O)(C1=CC=C(C=C1)O)OCC is an ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol,. It has the role of antifungal agent . It has the role of antimicrobial food preservative . It has the role of plant metabolite . It has the role of phytoestrogen . It is also related to or classified as ethyl ester  . It is also related to or classified as paraben  .
The molecule C1=C(OS(O)(=O)=O)C=CC2=C1CC[C@]3([C@@]4(CC[C@]([C@]4(CC[C@@]32[H])C)(C#C)O)[H])[H] C1=C(OS(O)(=O)=O)C=CC2=C1CC[C@]3([C@@]4(CC[C@]([C@]4(CC[C@@]32[H])C)(C#C)O)[H])[H] is A steroid sulfate that is 17alpha-ethynylestradiol in which the phenolic hydrogen at position 3 has been replaced by a sulfo group. It has the role of antineoplastic agent . It has the role of estrogen . Its functional parent is 17alpha-ethynylestradiol . It is a conjugate acid of 17alpha-ethynylestradiol 3-sulfate(1-) .  It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as steroid sulfate .
The molecule C[C@@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC(C)=O C[C@@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC(C)=O is an amino sugar that consists of beta-L-altropyranose having the hydroxy groups at positions 2 and 4 replaced by acetamido groups. It is also related to or classified as amino sugar , trideoxyhexose derivative .
The molecule C1(COP([O-])([O-])=O)=C(CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C C1(COP([O-])([O-])=O)=C(CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C is major microspecies at pH 7.3. It is also related to or classified as octahydronaphthalenes , sesquiterpenoid , organophosphate oxoanion .
The molecule CC1=CC(=CC=C1)C(=O)NCC(=O)O is an N-acylglycine that is the 3-methyl derivative of hippuric acid. It has a role as a metabolite. It derives from a N-benzoylglycine.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(=C(OC4OC(C(O)C(O)C4O)C)C(=O)C3C(O)=C2)C5=CC=C(OC)C=C5)CC=C(C)C)CO O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(=C(OC4OC(C(O)C(O)C4O)C)C(=O)C3C(O)=C2)C5=CC=C(OC)C=C5)CC=C(C)C)CO is Icarin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(SO)C=C C(SO)C=C is an S-alkylsulfenic acid in which the alkyl group is specified as allyl. It has the role of radical scavenger . It has the role of plant metabolite . It is also related to or classified as S-alkylsulfenic acid  .
The molecule [H][C@]1(O[C@@](O)(C[C@H](O)[C@@H]1NC(C)=O)C([O-])=O)[C@@H](NC(C)=O)[C@H](C)O [H][C@]1(O[C@@](O)(C[C@H](O)[C@@H]1NC(C)=O)C([O-])=O)[C@@H](NC(C)=O)[C@H](C)O is A monocarboxylic acid anion arising from deprotonation of the carboxy group of pseudaminic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule C1(=C(C=C([N+](=O)[O-])C=C1)[N+](=O)[O-])SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O C1(=C(C=C([N+](=O)[O-])C=C1)[N+](=O)[O-])SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O is A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a 2,4-dinitrophenyl group. Its functional parent is glutathione . It is a conjugate acid of S-(2,4-dinitrophenyl)glutathione(1-) . It is also related to or classified as glutathione conjugate .
The molecule CCOP(=S)(CC)Sc1ccccc1 CCOP(=S)(CC)Sc1ccccc1 is fonofos. It has the role of agrochemical . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C(O)=C5)=CC(=[OH+])C=C4OC(=C3)C)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C(O)=C5)=CC(=[OH+])C=C4OC(=C3)C)CO is Pyranodelphinin B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC(=C(C(=C1)S(=O)(=O)O)O)O is a dihydroxybenzenesulfonic acid in which the hydroxy groups are located at positions 2 and 3. It is a conjugate acid of a 2,3-dihydroxybenzenesulfonate.
The molecule [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C([S-])[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2 [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C([S-])[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2 is molybdopterin cytosine dinucleotide protonated to pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [C@@]1([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)(CCC(C=C)(O)C)C [C@@]1([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)(CCC(C=C)(O)C)C is A member of the class of octahydronaphthalenes that is 1,2,3,4,4a,7,8,8a-octahydronaphthalene which is substituted at position 1 by a 3-hydroxy-3-methylpent-1-en-5-yl group and a methyl group, and by further methyl groups at positions 2, 4, and 5 (the 1R,2S,4aS,8aS stereoisomer; the stereochemistry at the tertiary alcohol was not determined). It is also related to or classified as tertiary allylic alcohol  .  It is also related to or classified as diterpenoid  . It is also related to or classified as octahydronaphthalenes .
The molecule CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O is A leukotriene that is the 6-trans,12S-isomer of leukotriene B4. Its functional parent is icosa-6,8,10,14-tetraenoic acid . It is a conjugate acid of Delta(6)-trans-12-epi-leukotriene B4(1-) .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as leukotriene  . It is also related to or classified as hydroxy polyunsaturated fatty acid , dihydroxy monocarboxylic acid .
The molecule [H][C@]1(O[C@@](O)(C[C@H](O)[C@@H]1NC(C)=O)C(O)=O)[C@@H](NC(C)=O)[C@H](C)O [H][C@]1(O[C@@](O)(C[C@H](O)[C@@H]1NC(C)=O)C(O)=O)[C@@H](NC(C)=O)[C@H](C)O is A nine-membered ketoaldonic acid derivative that is 5,7-diacetamido-3,5,7,9-tetradeoxynon-2-ulopyranosonic acid having L-glycero-alpha-L-manno-configuration. It is a conjugate acid of pseudaminate . It is also related to or classified as ketoaldonic acid derivative .
The molecule CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C is a C21-steroid that is pregnane which contains a double bond between positions 5 and 6 and is substituted by oxo groups at positions 3 and 20. It is a 20-oxo steroid, a C21-steroid and a 3-oxo-Delta(5)-steroid. It derives from a hydride of a pregnane.
The molecule CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12 CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12 is A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. It has the role of antineoplastic agent . It has the role of microtubule-destabilising agent . It is also related to or classified as alkaloid  . It is also related to or classified as secondary amino compound .
The molecule [C@]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)C [C@]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)C is an organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (+)-kolavenyl diphosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C1(O)=C(C)N=CC(CO)=C1CN.Cl.Cl C1(O)=C(C)N=CC(CO)=C1CN.Cl.Cl is A hydrochloride obtained by combining pyridoxamine with two molar equivalents of hydrochloric acid. Used for treatment of diabetic nephropathy. It has the role of iron chelator . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of nephroprotective agent . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as vitamin B6 , hydrochloride .
The molecule C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1N C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1N is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-4-amino-4,6-dideoxy-N-acetyl-alpha-D-glucosamine. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C(C(/C=C/C=C/C=C/[C@H](CCCC(O)=O)O)=O)/C=C\CCCCC C(C(/C=C/C=C/C=C/[C@H](CCCC(O)=O)O)=O)/C=C\CCCCC is A leukotriene consisting of 6-trans-leukotriene B4 having a 12-keto group in place of the 12-hydroxy group. Its functional parent is icosa-6,8,10,14-tetraenoic acid . It is a conjugate acid of 12-oxo-6-trans-leukotriene B4(1-) .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as leukotriene  . It is also related to or classified as hydroxy polyunsaturated fatty acid , oxo fatty acid .
The molecule [Na+].[O-]C(=O)CF [Na+].[O-]C(=O)CF is sodium fluoroacetate. It has the role of rodenticide . It is also related to or classified as organic sodium salt .
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)C)[H])[H])[H] is A steroid glucuronide anion that is the conjugate base of estriol 16-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C(CP(=O)(O)O)O is a phosphonic acid consisting of ethanol with the phospho group at the 2-position. It derives from a phosphonic acid. It is a conjugate acid of a 2-hydroxyethylphosphonic acid(1-).
The molecule OC12C3C4N(CC5(C(C4(C6C1C(O)C(C6)C(OC)C2O)C(O)CC5)C3OC)COC)CC OC12C3C4N(CC5(C(C4(C6C1C(O)C(C6)C(OC)C2O)C(O)CC5)C3OC)COC)CC is Fuziline. Its functional parent is aconitane . It is also related to or classified as diterpene alkaloid .
The molecule [C@@]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])([C@H](C)CC[C@@]2([C@]1([H])CCC=C2C)C)C [C@@]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])([C@H](C)CC[C@@]2([C@]1([H])CCC=C2C)C)C is an organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (-)-kolavenyl diphosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C(CC(=O)[O-])[C@@H](C(=O)[O-])NC(=O)C[NH3+] is a peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group. It is a conjugate base of a Gly-Glu.
The molecule OC1=CC2=C([C@@]3([C@]([C@]4([C@@]([C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C([O-])=O)O)OS([O-])(=O)=O)O)CC4)(CC3)C)[H])(CC2)[H])[H])C=C1 OC1=CC2=C([C@@]3([C@]([C@]4([C@@]([C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C([O-])=O)O)OS([O-])(=O)=O)O)CC4)(CC3)C)[H])(CC2)[H])[H])C=C1 is A steroid glucuronide anion that is the conjugate base of 17beta-estradiol 17-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C([C@H](/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC C([C@H](/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC is A leukotriene anion that is the conjugate base of 6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as hydroxy fatty acid anion , leukotriene anion .
The molecule [H]C(=O)[C@H](OS([O-])(=O)=O)[C@@H](O)CC(=O)C([O-])=O [H]C(=O)[C@H](OS([O-])(=O)=O)[C@@H](O)CC(=O)C([O-])=O is an organosulfate oxoanion that is 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid in which a proton has been removed from both the carboxy and the sulfate group. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule C1C=CC2C=CC12 C1C=CC2C=CC12 is bicyclo[3.2.0]hepta-2,6-diene. It is also related to or classified as ortho-fused bicyclic hydrocarbon , polycyclic olefin .
The molecule COC1=CC2=C(C=C1)N(C=C2CC(=O)NO)C(=O)C3=CC=C(C=C3)Cl is a hydroxamic acid obtained by formal condensation of the carboxy group of indometacin with the amino group of hydroxylamine. It has a role as a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a non-narcotic analgesic. It is an organochlorine compound, a N-acylindole, an aromatic ether and a hydroxamic acid. It derives from an indometacin.
The molecule [H]P([H])[H] [H]P([H])[H] is the simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached. It has the role of fumigant insecticide . It has the role of carcinogenic agent . It is a conjugate acid of phosphanide . It is also related to or classified as phosphanes  . It is also related to or classified as phosphine  . It is also related to or classified as mononuclear parent hydride .
The molecule C[C@](N)(CC1=CN=CN1)C(O)=O C[C@](N)(CC1=CN=CN1)C(O)=O is an alpha-methylhistidine that has L-configuration. Its functional parent is L-histidine . It is also related to or classified as alpha-methylhistidine  .
The molecule [H]C(=O)[C@H](OS(O)(=O)=O)[C@@H](O)CC(=O)C(O)=O [H]C(=O)[C@H](OS(O)(=O)=O)[C@@H](O)CC(=O)C(O)=O is A carbohydrate sulfate that is the 2-O-sulphate derivative of 5-dehydro-4-deoxy-D-glucuronic acid. Its functional parent is 5-dehydro-4-deoxy-D-glucuronic acid . It is a conjugate acid of 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid(2-) . It is also related to or classified as aldehyde  . It is also related to or classified as monocarboxylic acid , carbohydrate sulfate .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C(OC)C2)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C(OC)C2)C is Luteolin 7,3'-dimethyl ether 5-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O is a glycosylsphingoid consisting of sphingosine having an alpha-D-galactosyl residue attached at the 1-position. It derives from a sphing-4-enine and a sphingosine.
The molecule OC(=O)C1=CC=CC(I)=C1 OC(=O)C1=CC=CC(I)=C1 is an iodobenzoic acid with a single iodo substituent placed at the 3-position. It is also related to or classified as iodobenzoic acid .
The molecule [C@]123[C@]([H])([C@@]4(C)[C@@](C5=C(C=C4)OC=C5)(CC1)[H])CC[C@H](C2)[C@@](C3)(O)CO [C@]123[C@]([H])([C@@]4(C)[C@@](C5=C(C=C4)OC=C5)(CC1)[H])CC[C@H](C2)[C@@](C3)(O)CO is A diterpenoid with formula C20H26O3, isolated from the beans of Coffea arabica. It exhibits antioxidant, anti-inflammatory, anti-angiogenesis and anti-proliferative properties. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as diterpenoid  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as furans , organic heteropentacyclic compound .
The molecule OCCCCCCCCCCCCO OCCCCCCCCCCCCO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 12. It has the role of Escherichia coli metabolite . It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule C1(O)=C(C)[NH+]=CC(CO)=C1C[NH3+] C1(O)=C(C)[NH+]=CC(CO)=C1C[NH3+] is A pyridinium ion obtained by protonation of both nitrogens of pyridoxamine. It is a conjugate acid of pyridoxaminium(1+) . It is also related to or classified as vitamin B6 , pyridinium ion .
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)OS([O-])(=O)=O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)OS([O-])(=O)=O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] is A steroid glucuronide anion that is the conjugate base of estrone 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is NADP zwitterion. It has the role of fundamental metabolite . It is also related to or classified as NADP .
The molecule C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1[NH3+] C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1[NH3+] is A nucleotide-sugar oxoanion that is the conjugate base of UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3. It is a conjugate acid of UDP-2-acetamido-4-azaniumyl-2,4,6-trideoxy-alpha-D-glucose(2-) . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule NC(CC(N)=O)C([O-])=O NC(CC(N)=O)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of asparagine, arising from deprotonation of the carboxy group. It is also related to or classified as alpha-amino-acid anion .
The molecule CCC(C)CCC(C)CCCCC(C)C is an alkane that is dodecane substituted by methyl groups at positions 2, 7 and 10. It has a role as a human metabolite. It derives from a hydride of a dodecane.
The molecule NC(=O)CC([NH3+])C(O)=O NC(=O)CC([NH3+])C(O)=O is asparaginium. It is a conjugate acid of asparagine . It is also related to or classified as alpha-amino-acid cation .
The molecule C(C/C=C(/CC/C=C(/CC[C@H]1C(O1)(C)C)\C)\C)/C=C(/CC/C=C(/CC[C@H]2C(O2)(C)C)\C)\C C(C/C=C(/CC/C=C(/CC[C@H]1C(O1)(C)C)\C)\C)/C=C(/CC/C=C(/CC[C@H]2C(O2)(C)C)\C)\C is A squalene triterpenoid obtained by epoxidation accross the 2,3- and 22,23-double bonds of squalene. It has the role of plant metabolite .  It is also related to or classified as epoxide  . It is also related to or classified as squalene triterpenoid .
The molecule CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F is the S-enantiomer of fenfluramine. It stimulates the release of serotonin and selectively inhibits its reuptake, but unlike fenfluramine it does not possess catecholamine agonist activity. It was formerly given by mouth as the hydrochloride in the treatment of obesity, but, like fenfluramine, was withdrawn wolrdwide following reports of valvular heart defects. It has the role of serotonergic agonist . It has the role of appetite depressant . It has the role of serotonin uptake inhibitor . It is also related to or classified as fenfluramine  .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1N C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1N is A UDP-amino sugar having 2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucose as the sugar component. It is a conjugate acid of UDP-2-acetamido-4-azaniumyl-2,4,6-trideoxy-alpha-D-glucose(1-) . It is also related to or classified as UDP-2-acetamido-4-amino-2,4,6-trideoxy-D-glucose  .
The molecule CN1C=NC(=N)C2=C1N=CN2 is a methyladenine that is adenine substituted with a methyl group at position N-3. It has a role as a human metabolite and an autophagy inhibitor.
The molecule C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCC)=O)CO C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCC)=O)CO is A ceramide obtained by formal condensation of the carboxy group of henicosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is henicosanoic acid . Its functional parent is 14-methylhexadecasphingosine . It is also related to or classified as Cer(d38:1)  . It is also related to or classified as ceramide  .
The molecule [NH3+]CCc1ccccc1 [NH3+]CCc1ccccc1 is the cation obtained by protonation of the amino group of 2-phenylethylamine. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of 2-phenylethylamine . It is also related to or classified as ammonium ion derivative .
The molecule CN(C)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CN(C)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A purine ribonucleoside 5'-monophosphate having N,N-dimethylguanine as the nucleobase. Its functional parent is guanosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1OS([O-])(=O)=O)C([O-])=O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1OS([O-])(=O)=O)C([O-])=O is A organosulfate oxoanion and monocarboxylic acid anion that results from the removal of a proton from both the carboxy group and the sulfate group of 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule CN(C)S(=O)(=O)c1ccc(O)cc1 CN(C)S(=O)(=O)c1ccc(O)cc1 is 4-hydroxy-N,N-dimethylbenzenesulfonamide. Its functional parent is 4-hydroxybenzenesulfonic acid . It is also related to or classified as sulfonamide  .
The molecule C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N)N is a C-nucleoside phosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a phosphate group. In cells, GS-441524 monophosphate gets converted into the pharmacologically active triphosphate form (GS-443902). It has a role as an anticoronaviral agent, an antiviral drug and a drug metabolite. It is a C-nucleoside phosphate, an aromatic amine, a nitrile and a pyrrolotriazine. It derives from a GS-441524.