anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [O-]C(=O)C(Cl)Cl [O-]C(=O)C(Cl)Cl is A monocarboxylic acid anion that is the conjugate base of dichloroacetic acid. It has the role of geroprotector . Its functional parent is acetate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C(C(NO)=O)[C@H](C(N[C@H](C(NC)=O)CC=1C=2C(NC1)=CC=CC2)=O)CC(C)C C(C(NO)=O)[C@H](C(N[C@H](C(NC)=O)CC=1C=2C(NC1)=CC=CC2)=O)CC(C)C is an N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of EC 3.4.24.24 (gelatinase A) inhibitor . It is also related to or classified as hydroxamic acid , L-tryptophan derivative , N-acyl-amino acid .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)O)O)O)O is a trisaccharide consisting of a beta-D-galactopyranose residue and two beta-D-glucopyranose residues joined in sequence by (1->2) and (1->6) glycosidic bonds. It derives from a beta-D-Glcp-(1->6)-beta-D-Glcp.
The molecule C12=CC=CC3=C1C([C@]4([C@@](C2(C)C)([H])CC[C@]([C@@H]4[N+]#[C-])(C)C=C)[H])=CN3 C12=CC=CC3=C1C([C@]4([C@@](C2(C)C)([H])CC[C@]([C@@H]4[N+]#[C-])(C)C=C)[H])=CN3 is A tetracyclic hapalindole alkaloid that is produced by the Stigonematales genus of cyanobacteria. It has the role of bacterial metabolite . It is also related to or classified as hapalindole  . It is also related to or classified as isocyanide  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3 is (3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S1S[C@]2(NC(=O)[C@](SS[C@@]3(C(N([C@]1(C(=O)N3)CC4=CC=CC=C4)C)=O)CO)(CC5=CC=CC=C5)N(C2=O)C)CO S1S[C@]2(NC(=O)[C@](SS[C@@]3(C(N([C@]1(C(=O)N3)CC4=CC=CC=C4)C)=O)CO)(CC5=CC=CC=C5)N(C2=O)C)CO is Vertihemiptellide A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 is 1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl is a steroid phosphate oxoanion which is the dianion obtained by deprotonation of the phosphate OH groups of estramustine phosphate. It is a conjugate base of an estramustine phosphate.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)/C(/C)=C/C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)/C(/C)=C/C is Quercetin 7-(6''-tiglylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1(C)CC(CC(C)(C)N1[O])C(O)=O CC1(C)CC(CC(C)(C)N1[O])C(O)=O is A member of the class of aminoxyls that is TEMPO carrying a carboxy group at position 4. It has the role of spin label . It has the role of MRI contrast agent . It has the role of radical scavenger . Its functional parent is TEMPO . It is also related to or classified as piperidinemonocarboxylic acid , aminoxyls .
The molecule CC([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O is a C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and by hydroxy groups at the 17alpha and 20 positions. It is a C21-steroid, a 3-oxo-Delta(4) steroid, a 17alpha-hydroxy steroid and a 20-hydroxy steroid. It derives from a hydride of a pregnane.
The molecule [Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O [Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is an organic sodium salt that is the disodium salt of methotrexate. It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . It is also related to or classified as organic sodium salt .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)CO O1[C@H]([C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)CO is an L-altrofuranose that has beta configuration at the anomeric position. It is also related to or classified as L-altrofuranose  .
The molecule C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl is 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as triazoles , pyrimidone , monochlorobenzenes .
The molecule [H][Tl]([H])[H] [H][Tl]([H])[H] is thallane. It is also related to or classified as thallium molecular entity , mononuclear parent hydride .
The molecule O([C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)C2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)C2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosyl glycoside consisting of beta-D-galactopyranose and D-galactopyranose residues joined by a (1->1) glycosidic bond. Its functional parent is beta-D-galactose . Its functional parent is D-galactopyranose . It is also related to or classified as partially-defined glycan , glycosyl glycoside .
The molecule NC=1C=C(Cl)N=C(N)N1 NC=1C=C(Cl)N=C(N)N1 is 6-chloro-2,4-pyrimidinediamine. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)F)O is a fluorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-fluorobenzoic acid. It derives from a benzoyl-CoA and a 4-fluorobenzoic acid.
The molecule CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC#N CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC#N is 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .
The molecule C1(O)=C(C)C(=C(O)C2=CC=CC=C12)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C1(O)=C(C)C(=C(O)C2=CC=CC=C12)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C is A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of four isoprenoid units. It is also related to or classified as menaquinol  .
The molecule O=C1C=C2[C@@]3(CC[C@]4([C@H]2CC[C@@H]5[C@@]4(C=6NC=7C=CC(=CC7C6C5)C(C=C)(C)C)C)C)O[C@@H]1C(O3)(C)C O=C1C=C2[C@@]3(CC[C@]4([C@H]2CC[C@@H]5[C@@]4(C=6NC=7C=CC(=CC7C6C5)C(C=C)(C)C)C)C)O[C@@H]1C(O3)(C)C is (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(=C\[N+]#[C-])\C1(C/C=C(/CCC=C(C)C)\C)C=NC=2C1=CC=CC2 C(=C\[N+]#[C-])\C1(C/C=C(/CCC=C(C)C)\C)C=NC=2C1=CC=CC2 is A member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups. Its functional parent is 3H-indole .  It is also related to or classified as isocyanide  . It is also related to or classified as indoles , olefinic compound .
The molecule C(CCCCCCCCCC)CCCCCCC(=O)OC[C@H](COP(=O)(OCC[NH3+])[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC C(CCCCCCCCCC)CCCCCCC(=O)OC[C@H](COP(=O)(OCC[NH3+])[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC is A phosphatidylethanolamine 36:2 zwitterion in which the acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. It is also related to or classified as 1-stearoyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as phosphatidylethanolamine 36:2 zwitterion  . It is also related to or classified as 1-acyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule C1C(CNC1C(=O)O)O is a monohydroxyproline where the hydroxy group is located at the 4-position. It is found in fibrillar collagen. It has a role as a human metabolite. It is a conjugate acid of a 4-hydroxyprolinate. It is a tautomer of a 4-hydroxyproline zwitterion.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyhexacosanoic acid [(R)-3-hydroxycerotic acid]. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA and a very long-chain fatty acyl-CoA. It derives from a hexacosanoic acid. It is a conjugate acid of a (R)-3-hydroxyhexacosanoyl-CoA(4-).
The molecule OS(O)(=O)=O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O OS(O)(=O)=O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O is the aminoglycoside sulfate salt that is the sulfate salt of neomycin B; a component of neomycin sulfate. It is also related to or classified as aminoglycoside sulfate salt .
The molecule O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC=CC5)[H])C)(CC[C@@]6(O[C@@](C(=O)C=C26)(C(OC(=O)C)(C)C)[H])[H])C O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC=CC5)[H])C)(CC[C@@]6(O[C@@](C(=O)C=C26)(C(OC(=O)C)(C)C)[H])[H])C is 1'-O-Acetylpaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3CC(=O)OC1 CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3CC(=O)OC1 is an organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-. It has the role of muscle relaxant . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as organic heterotetracyclic compound , indole alkaloid , tertiary amino compound .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@]5(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C5)C(=O)O)O)O)NC(C)=O)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)OC[C@H]8O[C@@H]([C@H]([C@@H]8O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@]%10(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C%10)C(=O)O)O)O)C=O)O)O)CO)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@]5(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C5)C(=O)O)O)O)NC(C)=O)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)OC[C@H]8O[C@@H]([C@H]([C@@H]8O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@]%10(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C%10)C(=O)O)O)O)C=O)O)O)CO)O is A branched amino decasaccharide comprising a sequence of alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl, beta-D-galactosyl, beta-D-glucosyl and 2,5-anydro-D-mannose residues linked sequentially (2->3), (1->4), (1->3), (1->4) and (1->6), to the N-acetyl-glucosaminyl residue of which is linked also (1->6) an alpha-sialyl-(2->3)-beta-D-galactosyl disaccharide unit, while to the 2,5-anhydro-D-mannose residue at the reducing end is also linked (1->4) a further alpha-sialyl(2->3)-beta-D-galactosyl disaccharide unit. Obtained by depolymerisation of the group B Streptococcus (GBS) type III capsular polysaccharide during which process the 2,5-anhydro-D-mannose residue is formed from a the original reducing-end N-acetyl-glucosaminyl residue (PMID:28439022). It has the role of epitope . It is also related to or classified as amino decasaccharide .
The molecule C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O is a hydroxyflavan that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group. It is a hydroxyflavan, a secondary alcohol and a polyphenol.
The molecule [In+] [In+] is indium(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as monoatomic indium .
The molecule O=C(O)C(O)C(O)CC(O)/C=C/CC(O)/C=C/CC(O)/C(=C/C(C(O)/C(=C/C(=C\C(CC(CC)C)C)/CO)/C)C)/C O=C(O)C(O)C(O)CC(O)/C=C/CC(O)/C=C/CC(O)/C(=C/C(C(O)/C(=C/C(=C\C(CC(CC)C)C)/CO)/C)C)/C is Arthrinic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(C)=C4C(C)(C)[C@@](C)(O)C(C)(C)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(C)=C4C(C)(C)[C@@](C)(O)C(C)(C)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C is A deuterated compound that is cholesterol in which the hydrogens at positions 2, 2, 3, 4, 4 and 6 are replaced by deuterium.  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as C27-steroid , cholestanoid , deuterated compound .
The molecule CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O is A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. It has the role of calcium ionophore . It has the role of antiprotozoal drug . It has the role of antibacterial drug . It has the role of fluorescent probe . It is a conjugate acid of chlortetracycline(1-) . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as monocarboxylic acid amide  .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as tetracyclines , tertiary amino compound , monochlorobenzenes .
The molecule [C@@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O is a hexaric acid resulting from formal oxidative ring cleavage of allose. It is a conjugate acid of an allarate(1-).
The molecule CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O is puromycin derivative that lacks the methoxyphenylalanyl group on the amine of the sugar ring. It is a 3'-deoxyribonucleoside and a member of adenosines.
The molecule C[C@@](CCOP(=O)([O-])OP(=O)([O-])[O-])(CC(=O)[O-])O is an organophosphate oxoanion arising from deprotonation of carboxylic acid and phosphate functions of (R)-5-diphosphomevalonic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a (R)-5-diphosphomevalonic acid.
The molecule OC(CCCCCC/C=C\C/C=C\C/C=C\CC)C(O)=O OC(CCCCCC/C=C\C/C=C\C/C=C\CC)C(O)=O is 2-HoTrE. It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as octadecatrienoic acid .
The molecule O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC is A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as tetradecanoyl, hexadecanoyl and octadecanoyl respectively. It has the role of human blood serum metabolite . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as triacylglycerol 48:0  .
The molecule CC(=O)N[C@@H](CCCC(=O)O)C(=O)O is an N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent. It has a role as a human metabolite. It is a conjugate acid of a N-acetyl-L-2-aminoadipate(2-).
The molecule CC1=CC=CC=C1NC(=[NH+]C2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=[NH+]C2=CC=CC=C2C)N.C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=C(C(=CC=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C9=C4C=CC=C9S(=O)(=O)[O-].[Cu] is a guanidinium salt that is the bis[1,3-di(2-tolyl)guanidinium] salt of a copper phthalocyanine-disulfonic acid. A dye that is soluble in alcohols and phospholipids and is used to demonstrate myelin. It has a role as a fluorochrome and a histological dye. It is a guanidinium salt and an organosulfonate salt. It contains a Luxol fast blue MBS(2-).
The molecule COC1=NC=C(F)C=C1CNC2=NC(F)=C(CC3=CNC4=NC=C(C)C=C43)C=C2 COC1=NC=C(F)C=C1CNC2=NC(F)=C(CC3=CNC4=NC=C(C)C=C43)C=C2 is pLX5622 is a highly selective brain penetrant and orally active CSF1R inhibitor. PLX5622 allows for extended and specific microglial cells elimination, preceding and during pathology development. PLX5622 demonstrates desirable PK properties in varies animals. PLX5622 is mostly used in the way of feed free diet. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C is 1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O is (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester. It is also related to or classified as p-quinones , tetracenes .
The molecule ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]5O)O)CO)=O)OC(=O)NC)(O4)C)C)C3)=O)C ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]5O)O)CO)=O)OC(=O)NC)(O4)C)C)C3)=O)C is Ansacarbamitocin D. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule C1=CC(=C2C(=C1Cl)[C@@]([C@@]3(C(C2=O)=C([C@]4([C@@](C3)([C@@H](C(=C(C4=O)C(N)=O)[O-])[NH+](C)C)[H])O)O)[H])(C)O)[O-] C1=CC(=C2C(=C1Cl)[C@@]([C@@]3(C(C2=O)=C([C@]4([C@@](C3)([C@@H](C(=C(C4=O)C(N)=O)[O-])[NH+](C)C)[H])O)O)[H])(C)O)[O-] is an organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as organic anion .
The molecule C1=CC=C2C(=C1)N=CO2 is a benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5. It is a mancude organic heterobicyclic parent and a member of 1,3-benzoxazoles.
The molecule C=12C(=CC=CC1)NC=C2/C=C\[N+]#[C-] C=12C(=CC=CC1)NC=C2/C=C\[N+]#[C-] is A 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has Z (cis-) configuration. An antibacterial agent isolated from a species of Pseudomonas. It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as 3-(2-isocyanovinyl)indole  .
The molecule CCCCCCCCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyicosananoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is a conjugate acid of a (R)-3-hydroxyicosanoyl-CoA(4-).
The molecule O=C(C1=CC=C(C=C1)Cl)N[C@H]2CN3CCC2CC3.[H]Cl O=C(C1=CC=C(C=C1)Cl)N[C@H]2CN3CCC2CC3.[H]Cl is pNU-282987 is a potent alpha7 nicotinic acetylcholine receptor (nAChR) agonist. PNU-282987 is also a functional antagonist of the 5-HT3 receptor. PNU-282987 can be used for the research of central and peripheral nervous systems. It is also related to or classified as organic molecular entity .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)CC2=C(N3C=C(N=C(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)O)O is a member of phenols and an imidazopyrazine. It has a role as a luciferin. It derives from a hydride of an imidazo[1,2-a]pyrazine.
The molecule C1=CC(=CC(=C1)O)C(=O)C2=C(C=C(C=C2[O-])O)O is a phenolate anion that is the conjugate base of 2,3',4,6-tetrahydroxybenzophenone, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3. It is a conjugate base of a 2,3',4,6-tetrahydroxybenzophenone.
The molecule O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O is A L-arabinopyranose with an alpha-configuration at the anomeric position. It is also related to or classified as L-arabinopyranose  .
The molecule CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCC(C)CC)O 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 a role as a Caenorhabditis elegans metabolite. It is a ceramide and a Cer(d38:1). It derives from a 14-methylhexadecasphingosine and a henicosanoic acid.
The molecule NC(=O)C1(CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)[NH+]1CCCCC1 NC(=O)C1(CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)[NH+]1CCCCC1 is an ammonium ion resulting from the protonation of both of the tertiary amino groups of pipamperone. It is a conjugate acid of pipamperone . It is also related to or classified as ammonium ion derivative .
The molecule N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H]([C@@H]([C@H](O)[C@H](O4)C)O)O)([O-])=O)([O-])=O)[C@H]([C@H]3O)O N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H]([C@@H]([C@H](O)[C@H](O4)C)O)O)([O-])=O)([O-])=O)[C@H]([C@H]3O)O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-6-deoxy-alpha-D-altrose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .