mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>[NH4+].[NH4+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H](O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is the ammonium salt formed from association of two ammonium cations with the dianion of 12-aminolauroyl tripalmitoyl cardiolipin. It is also related to or classified as organic ammonium salt, ammonium salt.
The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl unit linked (1->6). It is also related to or classified as mannooligosaccharide derivative.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H](O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is an organophosphate oxoanion resulting from deprotonation of the two phosphate OH groups of 12-aminolauroyl tripalmitoyl cardiolipin. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>N[C@@H](COC(=O)C=[N+]=[N-])C(O)=O</smiles> is A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. It has the role of glutamine antagonist. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of antimetabolite. It has the role of antineoplastic agent. It has the role of immunosuppressive agent. It has the role of antifungal agent. It is also related to or classified as carboxylic ester . It is also related to or classified as diazo compound, non-proteinogenic L-alpha-amino acid, L-serine derivative.
The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl unit linked (1->6). It is also related to or classified as mannooligosaccharide derivative.
The molecule <smiles>OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> is an organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. It has the role of antimetabolite. It has the role of antineoplastic agent. It has the role of prodrug. It is also related to or classified as diol . It is also related to or classified as organic heterotricyclic compound.
The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl unit linked (1->6). It is also related to or classified as mannooligosaccharide derivative.
The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is an anionic phospholipid that is the conjugate base of 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic; major species at pH 7.3. It is also related to or classified as 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion . It is also related to or classified as anionic phospholipid.
The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-glutamine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>Cl.Nc1c2ccccc2nc2ccccc12</smiles> is A hydrochloride salt resulting from the reaction of equimolar amounts of 9-aminoacridine and hydrogen chloride. It has the role of mutagen. It has the role of antiinfective agent. It has the role of antiseptic drug. It is also related to or classified as hydrochloride.
The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-glutamic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>[H][C@]12CS[C@@H](CCCCC(=O)NCCSSCCC(=O)NCCCOCCOCCOCCCNC(=O)COCCOCCOCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)Cc3ccccc3)[C@@]1([H])NC(=O)N2</smiles> is an organic disulfide that is L-685,458 in which the C-terminal amide group is coupled to a biotin moiety via a long linker containing the disulfide group. It has the role of EC 3.4.23.46 (memapsin 2) inhibitor. Its functional parent is biotin. Its functional parent is L-685,458.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organic disulfide . It is also related to or classified as secondary alcohol . It is also related to or classified as polyether . It is also related to or classified as carbamate ester.
The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-threonine and glycine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> is A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere,  2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease. It has the role of peptidomimetic. It has the role of EC 3.4.23.46 (memapsin 2) inhibitor. It is also related to or classified as peptide .  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as secondary alcohol . It is also related to or classified as carbamate ester.
The molecule <smiles>Cl[Sb](Cl)Cl</smiles> is an inorganic chloride salt with formula SbCl3. It is used as a reagent for detecting vitamin A and related carotenoids, reacting with the carotenoid to form a blue complex that can be measured by colorimetry (the Carr-Price test). Solutions of antimony trichloride were formerly used for dissolving and removing horn stubs from calves and goats. It has the role of Lewis acid. It has the role of colorimetric reagent. It has the role of apoptosis inducer. It is also related to or classified as inorganic chloride, antimony molecular entity.
The molecule <smiles>Cl.OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> is A hydrochloride salt resulting from the reaction of equimolar amounts of ancitabine and hydrogen chloride. It has the role of antimetabolite. It has the role of antineoplastic agent. It is also related to or classified as hydrochloride.
The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-aspartic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-arginine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-methionine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>[H+].OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> is an organic cation resulting from the protonation of one of the nitrogens of ancitabine. It is a conjugate acid of ancitabine. It is also related to or classified as organic cation.
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-leucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O</smiles> is A methyl glycoside that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by a methyl group. Its functional parent is beta-D-xylose. It is also related to or classified as methyl glycoside, xylose derivative.
The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-phenylalanine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-leucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-lysine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3c(O)c1C2</smiles> is an organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether. It has the role of antineoplastic agent. It has the role of plant metabolite. Its functional parent is alpha-peltatin. It is also related to or classified as lignan . It is also related to or classified as phenols . It is also related to or classified as gamma-lactone . It is also related to or classified as furonaphthodioxole . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-tryptophan and glycine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-valine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-glutamic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from two L-tryptophan residues. It has the role of Mycoplasma genitalium metabolite. Its functional parent is L-tryptophan. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-aspartic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(O)(=O)OC[C@H](N)C(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is A glycerophosphoserine that is L-serine in which the side-chain is substituted by an archaetidyl group. It is a conjugate acid of 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as ether lipid, L-serine derivative.
The molecule <smiles>CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1</smiles> is A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. It has the role of acaricide. It has the role of antifungal agrochemical. Its functional parent is sulfamide. It is also related to or classified as organochlorine compound . It is also related to or classified as organofluorine compound . It is also related to or classified as phenylsulfamide fungicide, sulfamides.
The molecule <smiles>[H][C@@]12C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C[C@@H](C)OC(=O)\C=C\[C@H]1O2)O3</smiles> is A macrolide antibiotic that has formula C33H47NO13, produced by several Streptomyces species including Streptomyces natalensis. It exhibits broad spectrum antifungal activity and used in eye drops, and as a food preservative, and also as a postharvest biofungicide for citrus and other fruit crops. It has the role of antimicrobial food preservative. It has the role of ophthalmology drug. It has the role of apoptosis inducer. It has the role of bacterial metabolite. It has the role of antifungal agrochemical.   It is also related to or classified as epoxide . It is also related to or classified as macrolide antibiotic, polyene antibiotic, dicarboxylic acid monoester, monosaccharide derivative, antibiotic antifungal drug.
The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O</smiles> is A nucleotide residue derived from 5-(carboxymethyl)uridine 5'-monophosphate. It is a conjugate acid of 5-(carboxymethyl)uridine 5'-monophosphate(2-) residue. It is also related to or classified as nucleotide residue.
The molecule <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-tyrosine and L-glutamic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[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]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[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]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> is an N-glycosylated glycine in which the saccharide component is the branched decasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is also related to or classified as N-glycosylated glycine.
The molecule <smiles>CCCCCCCCCCCCNC(N)=N</smiles> is A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide. It has the role of antibacterial agent. It has the role of antifungal agrochemical. It is also related to or classified as guanidines, aliphatic nitrogen antifungal agent.
The molecule <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-tyrosine and L-alanine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[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]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[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]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> is an N-glycosylated glycine in which the saccharide component is the branched undecasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. Its functional parent is Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc. It is also related to or classified as N-glycosylated glycine.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[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]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[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]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> is an N-glycosylated glycine in which the saccharide component is the branched nonasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is also related to or classified as N-glycosylated glycine.
The molecule <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-tyrosine and L-glutamine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-tyrosine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-phenylalanine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and linoleoyl respectively. Its functional parent is oleic acid. Its functional parent is linoleic acid. It is a conjugate acid of 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as phosphatidylserine(18:1/18:2) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylserine 36:3 that is the conjugate base of 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 36:3(1-) . It is also related to or classified as 1-acyl-2-linoleoyl-sn-glycero-3-phosphoserine(1-) .
The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC\N=C/[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[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]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)OCCCCCCCCCCCCCCCC</smiles> is an N-glycosylated dialkylglycerophosphoethanolamine in which the dialkylglycerophosphoethanolamine is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine and the glycosylating saccharide is the branched decasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc, the GlcNAc residue at the reducing end of which is in the ring-opened form. It has the role of neoglycolipid probe. Its functional parent is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as N-glycosylated dialkylglycerophosphoethanolamine.
The molecule <smiles>CCCCCCCCCCCCNC(N)=[NH2+]</smiles> is A guanidinium ion resulting from the protonation of the imino nitrogen of 1-dodecylguanidine. The major species at pH 7.3. It is a conjugate acid of 1-dodecylguanidine. It is also related to or classified as guanidinium ion .
The molecule <smiles>CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(C)(O)=O)n1ccc(=N)n(C)c1=O</smiles> is A nucleotide residue derived from N(3)-methylcytidine 5'-monophosphate. It is a conjugate acid of N(3)-methylcytidine 5'-monophosphate(1-) residue. It is also related to or classified as nucleotide residue.
The molecule <smiles>Cl[223Ra]Cl</smiles> is A radium molecular entity with formula (223)RaCl2. Used as as a radiotherapeutic agent for the treatment of patients with castration-resistant prostate cancer, symptomatic bone metastases and no known visceral metastatic disease. An alpha-emitter, radium-223 has a half-life of 11.4 days. It has the role of radiopharmaceutical. It has the role of antineoplastic agent. It is also related to or classified as isotopically modified compound, inorganic chloride, radium molecular entity.
The molecule <smiles>CC(O)=O.CCCCCCCCCCCCNC(N)=N</smiles> is an acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries. It has the role of antibacterial agent. It has the role of antifungal agrochemical. It is also related to or classified as acetate salt, aliphatic nitrogen antifungal agent.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A phosphatidylserine 34:2 that is the conjugate base of 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 34:2(1-) .
The molecule <smiles>[H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C</smiles> is A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease. It has the role of anti-asthmatic drug. It has the role of prodrug. It has the role of anti-allergic agent. Its functional parent is fluticasone. It is also related to or classified as 11beta-hydroxy steroid .     It is also related to or classified as thioester . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid . It is also related to or classified as steroid ester, fluorinated steroid, 2-furoate ester, corticosteroid.