mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C1(C(C(CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> is A member of the class of cyclopentanones that is (4Z)-7-(3-oxocyclopentyl)hept-4-enoic acid in which the cyclopentenone ring is substituted at positions 2 and 5 by morpholin-4-yl and (1,1'-biphenyl-4-yl)methoxy groups respectively.  It is also related to or classified as ether . It is also related to or classified as biphenyls, oxo monocarboxylic acid, cyclopentanones, morpholines, olefinic compound.
The molecule <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S([O-])(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1.[Na+]</smiles> is an organic sodium salt having 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate as the counterion. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt, organosulfonate salt.
The molecule <smiles>[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]%15[C@H]([C@H]([C@@H]([C@H](O%15)CO)O)O)O[C@H]%16[C@@H]([C@H]([C@@H]([C@H](O%16)CO)O[C@H]%17[C@@H]([C@H]([C@H]([C@H](O%17)CO)O)O[C@H]%18[C@@H]([C@H]([C@@H]([C@H](O%18)CO)O[C@H]%19[C@@H]([C@H]([C@H]([C@H](O%19)CO)O)O[C@H]%20[C@@H]([C@H]([C@@H]([C@H](O%20)CO)O)O[C@H]%21[C@@H]([C@H]([C@H]([C@H](O%21)CO)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%22[C@@H]([C@H]([C@@H](O[C@@H]%22CO)O[C@H]%23[C@@H]([C@H]([C@@H](O[C@@H]%23CO[C@H]%24[C@H]([C@@H]([C@@H]([C@@H](O%24)C)O)O)O)O)NC(=O)C)O)NC(=O)C)O</smiles> is A branched amino oligosaccharide (tetracosasaccharide) consisting of a linear trisaccharide unit of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-beta-D-glucosamine residues, connected by (1->3) linkages, to the beta-D-mannose residue of which are linked (1->3) and (1->6) alpha-D-mannose residues, the one at O-2 being substituted at O-2 by a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl hexasaccharide unit and the one at O-6 being substituted also at both O-2 and O-6 by beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl hexasaccharide units, while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S([O-])(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonic acid. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]%11[C@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H]([C@@H](O[C@@H]%17CO[C@H]%18[C@H]([C@@H]([C@@H]([C@@H](O%18)C)O)O)O)O)NC(=O)C)O)NC(=O)C)O</smiles> is A branched amino oligosaccharide (octadecasaccharide) consisting of a linear trisaccharide unit of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-beta-D-glucosamine residues, connected by (1->3) linkages, to the beta-D-mannose residue of which are linked (1->3) and (1->6) alpha-D-mannose residues, the one at O-2 being substituted at O-2 by a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide unit and the one at O-6 being substituted also at both O-2 and O-6 by beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide units, while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>CCCCC1N(C)CN([C@H]2[C@H](Oc3ccc(cc3)\C=C/NC(=O)[C@@H](NC2=O)C(C)C)c2ccccc2)C1=O</smiles> is Sativanine B. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@H]5O[C@@H]([C@@H]([C@H]([C@H]5O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(C)=O)O)O)NC(C)=O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino nonasaccharide consisting of an alpha-D-galactosamine residue to which are attached (1->3) and (1->6) two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide branches. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino nonasaccharide.
The molecule <smiles>[Cl-].C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC</smiles> is an organic chloride salt having 6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium as the cation. Depending on the mode of manufacture, pyronin B also exists in the form of an FeCl3 complex. It has the role of histological dye. It is also related to or classified as iminium salt, organic chloride salt.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO)O)NC(C)=O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A linear amino pentasaccharide comprising a (1->4), (1->3), (1->4), (1->3) sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino pentasaccharide.
The molecule <smiles>[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> is A (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have R-, R- and S-configuration respectively. It is a conjugate acid of (1R,2R,5S)-AH23848(1-). It is also related to or classified as (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid .
The molecule <smiles>C([C@@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O</smiles> is A D-phenylalanine derivative that is D-phenylalanine in which one of the hydrogens of the amino group has been replaced by a benzoyl group. It has the role of hypoglycemic agent. It has the role of insulin secretagogue.  It is also related to or classified as 2-(benzoylamino)-3-phenylpropanoic acid . It is also related to or classified as D-phenylalanine derivative.
The molecule <smiles>C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC</smiles> is an iminium ion that is the cationic component of pyronin B. It is also related to or classified as iminium ion.
The molecule <smiles>C(=O)(C(N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A methionine derivative that is the amide obtained by formal condensation of the carboxy group of methionine with the amino group of 2-naphthylamine.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, methionine derivative.
The molecule <smiles>C([C@@H](CC([O-])=O)OC(CC(CC)O)=O)[N+](C)(C)C</smiles> is an O-acyl-L-carnitine in which the acyl group is specified as 3-hydroxyvaleryl. It has the role of human metabolite. Its functional parent is 3-hydroxypentanoic acid. It is also related to or classified as hydroxy-fatty acyl-L-carnitine .
The molecule <smiles>C(=O)([C@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A D-methionine derivative that is the amide obtained by formal condensation of the carboxy group of D-methionine with the amino group of 2-naphthylamine.  It is also related to or classified as 2-amino-4-(methylsulfanyl)-N-(2-naphthyl)butanamide . It is also related to or classified as D-methionine derivative.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@H]5O[C@@H]([C@@H]([C@H]([C@H]5O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino hexasaccharide comprising a linear pentasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino hexasaccharide.
The molecule <smiles>C(=O)([C@@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-methionine derivative that is the amide obtained by formal condensation of the carboxy group of L-methionine with the amino group of 2-naphthylamine.  It is also related to or classified as 2-amino-4-(methylsulfanyl)-N-(2-naphthyl)butanamide . It is also related to or classified as L-methionine derivative.
The molecule <smiles>C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC.Cl[Fe-](Cl)(Cl)Cl</smiles> is an iminium salt composed of 6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium and tetrachloroferrate ions ia 1:1 ratio. Depending on the mode of manufacture, pyronin B also exists in the form of a chloride salt. It has the role of histological dye. It is also related to or classified as iron coordination entity, iminium salt.
The molecule <smiles>C(=O)([C@@H](N)CSSC[C@@H](C(=O)O)N)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-cysteine derivative that is the amide obtained by formal condensation of one of the carboxy groups of L-cystine with the amino group of 2-naphthylamine. Its functional parent is L-cystine.  It is also related to or classified as organic disulfide .   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, dicarboxylic acid monoamide, L-cysteine derivative.
The molecule <smiles>C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)[O-])Cl)O</smiles> is A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3. It is also related to or classified as phenolate anion.
The molecule <smiles>C(=O)([C@@H](N)CC(O)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-aspartic acid derivative that is the amide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is a conjugate acid of N-(alpha-L-aspartyl)-2-naphthylamine(1-).   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-aspartic acid derivative.
The molecule <smiles>N1([C@@H]2O[C@H](COP([O-])([O-])=O)[C@H](C2)O)C(NC(=O)C(=C1)CO)=O</smiles> is major structure at pH 7.3. Conjugate base of CHEBI:40113. It is also related to or classified as organophosphate oxoanion, organic molecular entity.
The molecule <smiles>C(C(CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O</smiles> is A member of the class of benzamides that is 3-phenylpropanoic acid in which one of the hydrogens at position 2 has been replaced by a benzoylamino group. It is also related to or classified as benzamides, N-acyl-amino acid.
The molecule <smiles>C(=O)([C@@H](N)CS)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-cysteine derivative that is the amide obtained by formal condensation of the carboxy group of L-cysteine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It has the role of human xenobiotic metabolite.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-cysteine derivative.
The molecule <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S(O)(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1</smiles> is A member of the class of benzothiazoles that is 2,6'-bi-1,3-benzothiazole substituted at positions 2' 6 and 7 by 4-aminophenyl, methyl and sulfo groups respectively. The monosodium salt is the biological dye 'primuline'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate. It is also related to or classified as arenesulfonic acid, ring assembly, benzothiazoles, substituted aniline.
The molecule <smiles>C(=O)([C@@H](N)CCC(O)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-glutamic acid derivative that is the amide obtained by formal condensation of the alpha-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is a conjugate acid of N-(alpha-L-glutamyl)-2-naphthylamine(1-).   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-glutamic acid derivative.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(C)=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(C)=O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A linear amino hexasaccharide comprising a (1->3), (1->4), (1->3), (1->4), (1->3) sequence of N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino hexasaccharide.
The molecule <smiles>C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)[O-]</smiles> is an L-alpha-amino-acid anion obtained by deprotonation of the carboxy group of N-(gamma-L-glutamyl)-2-naphthylamine. It is also related to or classified as L-alpha-amino acid anion .
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@H]6O[C@@H]([C@@H]([C@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino heptasaccharide comprising a linear hexasaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->6), (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino heptasaccharide.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)NC(=O)C)O[C@]5(O[C@]([C@H](NC(=O)C)[C@H](C5)O)([C@@H]([C@H](O)CO)O)[H])C(=O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)O)O</smiles> is A sialodiosylceramide that consists of an alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc moiety attached via a glycosidic bond at position 1 of N-hexadecanoylsphingosine. It is also related to or classified as sialotetraosylceramide.
The molecule <smiles>ClC(C(NCCCCCCCCNC(C(Cl)Cl)=O)=O)Cl</smiles> is A carboxamide that is 1,8-diaminooctane in which a hydrogen attached to each of the amino groups has been replaced by a dichloroacetyl group. Inhibitor of aldehyde dehydrogenase 1a2 (ALDH1a2). Inhibits the biosynthesis of retinoic acid from retinol in neonatal and adult murine testis. It down-regulates sex related genes in zebrafish. It has the role of EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. Its functional parent is dichloroacetic acid. Its functional parent is 1,8-diaminooctane. It is also related to or classified as secondary carboxamide . It is also related to or classified as organochlorine compound .
The molecule <smiles>O=C1OC[C@H](CC2=CC=C3OCOC3=C2)\C1=C/C1=CC2=C(OCO2)C=C1</smiles> is A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor. It has the role of anticoronaviral agent. It has the role of T-cell proliferation inhibitor. It has the role of anti-inflammatory agent. It has the role of plant metabolite. It is also related to or classified as lignan . It is also related to or classified as gamma-lactone . It is also related to or classified as benzodioxoles.
The molecule <smiles>C(=O)([C@@H](N)CCC([O-])=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A gamma-amino-acid anion obtained by deprotonation of the side-chain carboxy group of N-(alpha-L-glutamyl)-2-naphthylamine. It is also related to or classified as gamma-amino acid anion.
The molecule <smiles>C(=O)([C@@H](N)CC([O-])=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A beta-amino-acid anion obtained by deprotonation of the side-chain carboxy group of N-(alpha-L-aspartyl)-2-naphthylamine. It is also related to or classified as beta-amino-acid anion.
The molecule <smiles>[C@H]1(O)[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)OC[C@@H](COC(=O)CCCCCCC)OC(CCCCCCC)=O)O[C@H](CO)[C@@H]([C@@H]1O)O</smiles> is A glycolipid that consists of 1,2-dioctanoyl-sn-glycerol having an alpha-D-galactosyl-(1->6)-beta-D-galactosyl residue attached at position 3. It is also related to or classified as glycoglycerolipid, disaccharide derivative.
The molecule <smiles>C(=O)([C@@H](N)CSSC[C@@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)N)NC=3C=CC4=C(C3)C=CC=C4</smiles> is an L-cysteine derivative that is the amide obtained by formal condensation of the carboxy groups of L-cystine with the amino groups from two molecules of 2-naphthylamine. It has the role of chromogenic compound. Its functional parent is L-cystine.  It is also related to or classified as organic disulfide .   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, dicarboxylic acid diamide, L-cysteine derivative.
The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are hexadecanoyl and heptadecanoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine .
The molecule <smiles>C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)O</smiles> is an L-glutamine derivative that is the amide obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is a conjugate acid of N-(gamma-L-glutamyl)-2-naphthylamine(1-).   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-glutamine derivative.
The molecule <smiles>C(=O)([C@@H](N)CCC(N)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-glutamine derivative that is the amide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-glutamine derivative.
The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCC)=O)OC(CCCCCCC)=O)O)O)O)CO</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as octanoyl. Its functional parent is octanoic acid. It is also related to or classified as medium-chain 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol .
The molecule <smiles>N1[C@@H](C[C@H](C1)O)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of trans-4-hydroxy-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound. Its functional parent is trans-4-hydroxy-L-proline.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-proline derivative.
The molecule <smiles>[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)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@]%13(O[C@]([C@@H]([C@H](C%13)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H]([C@@H](O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a pentadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked (1->3) and (1->6) two N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear hexasaccharide units. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>C=1(N=CNC1)C[C@@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)N</smiles> is an L-histidine derivative that is the amide obtained by formal condensation of the carboxy group of L-histidine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-histidine derivative.