mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O</smiles> is A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). It has the role of antineoplastic agent. It has the role of B-Raf inhibitor. It is also related to or classified as sulfonamide . It is also related to or classified as organochlorine compound . It is also related to or classified as difluorobenzene . It is also related to or classified as pyrrolopyridine, aromatic ketone.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)O</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as phenoxazine, polyphenol, resorcinols, cyclic ketone.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)O</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional hydroxy and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as phenoxazine, polyphenol, resorcinols, cyclic ketone.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)N</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as phenoxazine, polyphenol, resorcinols, aromatic amine, cyclic ketone.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)O</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as phenoxazine, polyphenol, resorcinols, cyclic ketone.
The molecule <smiles>C1(=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(NC(C)(C)C)(=O)=O</smiles> is A member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a p-(4-methylpiperazin-1-yl)phenyl group, while that at position 4 is substituted by a m-(tert-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is also related to or classified as sulfonamide . It is also related to or classified as pyrimidines, N-alkylpiperazine, N-arylpiperazine, secondary amino compound.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4C)O)O)=N)C)C=5C(=CC(=CC5O)O)C)N</smiles> is A member of the class of phenoxazines that is 3-imino-1,9-dimethyl-3H-phenoxazine carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring.   It is also related to or classified as ketimine . It is also related to or classified as phenoxazine, polyphenol, resorcinols, aromatic amine.
The molecule <smiles>[Na+].[Na+].C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S([O-])(=O)=O)C=C(C=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O.[Na+].[Na+]</smiles> is an organic sodium salt that is the tetrasodium salt of 3-hydroxy-4-({2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonic acid. 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=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)N</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as phenoxazine, polyphenol, resorcinols, aromatic amine, cyclic ketone.
The molecule <smiles>C(=O)(O)CCC1=CC=C(C=C1)[N+]([O-])=O</smiles> is A monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group. It has the role of chromogenic compound. Its functional parent is 3-phenylpropionic acid. It is also related to or classified as monocarboxylic acid, C-nitro compound.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)N</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional amino and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as phenoxazine, resorcinols, aromatic amine, cyclic ketone.
The molecule <smiles>N([C@H](C(O)=O)[C@@H](C)CC)C([C@@H](N)CO)=O</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-serine with the amino group of L-isoleucine. It is also related to or classified as dipeptide .
The molecule <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> is A C85 alpha-mycolic acid produced by Mycobacterium tuberculosis having a C58 meromycolic chain with one cis cyclopropyl function, one methoxy function and one methyl subsituent, and a saturated C24 alpha-branch. It has the role of allergen. It has the role of bacterial metabolite. It is also related to or classified as hydroxy fatty acid, mycolic acid.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group. It has the role of chromogenic compound. Its functional parent is 2-nitrophenol. It is also related to or classified as N-acetyl-alpha-D-glucosaminide . It is also related to or classified as C-nitro compound.
The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4C)O)O)=N)C)C=5C(=CC(=CC5C)O)O)N</smiles> is A member of the class of phenoxazines that is 3-imino-1,9-dimethyl-3H-phenoxazine carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite. It has the role of histological dye. It has the role of food colouring.   It is also related to or classified as ketimine . It is also related to or classified as phenoxazine, polyphenol, resorcinols, aromatic amine.
The molecule <smiles>C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S([O-])(=O)=O)C=C(C=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Ponceau S. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S(O)(=O)=O)C=C(C=C4)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O</smiles> is an arenesulfonic acid that is 3-hydroxynaphthalene-2,7-disulfonic acid carrying a {2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl group at position 4. The tetrasodium salt is the biological stain 'Ponceau S'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of Ponceau S(4-). It is also related to or classified as azobenzenes . It is also related to or classified as naphthols, arenesulfonic acid, bis(azo) compound.
The molecule <smiles>C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)O)[C@@H](C)O</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-valine with the amino group of L-threonine. It is also related to or classified as dipeptide .
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=3C(C=CC2)=CC=CC3)NC(=O)C)O)O)CO</smiles> is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 1-naphthyl group. It has the role of chromogenic compound. Its functional parent is 1-naphthol.  It is also related to or classified as N-acetyl-beta-D-glucosaminide . It is also related to or classified as naphthalenes.
The molecule <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)O[C@]3([C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H](O3)CO)[H]</smiles> is an indolyl carbohydrate that is the N-acetyl-beta-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has the role of chromogenic compound. Its functional parent is indoxyl.    It is also related to or classified as N-acetyl-beta-D-glucosaminide . It is also related to or classified as indolyl carbohydrate, chloroindole, bromoindole.
The molecule <smiles>C=1C=CC2=C(C1)C=C(N2)/C=C/C(=O)O</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-2-yl group. Its functional parent is acrylic acid. It is also related to or classified as indoles, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group. It has the role of chromogenic compound. Its functional parent is 2-nitrophenol.  It is also related to or classified as N-acetyl-beta-D-glucosaminide . It is also related to or classified as C-nitro compound.
The molecule <smiles>C(=O)([C@@H](N)[C@H](O)C)N[C@H](C(=O)O)C(C)C</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-valine. It is also related to or classified as dipeptide .
The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)O)O)O)CO[C@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO</smiles> is A glycolipid that consists of 1,2-diacyl-sn-glycerol having dodecanoyl as the acyl groups and 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>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound. Its functional parent is 4-nitrophenol.  It is also related to or classified as N-acetyl-beta-D-glucosaminide . It is also related to or classified as C-nitro compound.
The molecule <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> is A mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 6-OH of D-glucose. It has the role of antigen. Its functional parent is D-glucopyranose. Its functional parent is (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid. It is also related to or classified as mycolate ester.
The molecule <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)O</smiles> is A member of the class of hydroxyindoles that is indoxyl carrying additional chloro and bromo substituents at positions 4 and 5 respectively. It has the role of chromogenic compound. Its functional parent is indoxyl. It is also related to or classified as chloroindole, bromoindole, heteroaryl hydroxy compound, hydroxyindoles.
The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=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 dodecanoyl (lauroyl). Its functional parent is dodecanoic acid. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol .
The molecule <smiles>C(=O)(CN)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A glycine derivative that is the amide obtained by formal condensation of the carboxy group of glycine 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, glycine derivative.
The molecule <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OCC(O)CO)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> is A mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 1-OH of glycerol. It has the role of antigen. Its functional parent is glycerol. Its functional parent is (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid. It is also related to or classified as mycolate ester.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C=CC(=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound. Its functional parent is 4-nitrophenol. It is also related to or classified as N-acetyl-alpha-D-glucosaminide . It is also related to or classified as C-nitro compound.
The molecule <smiles>C(=O)([C@H](C)N)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-alanine derivative that is the amide obtained by formal condensation of the carboxy group of L-alanine 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-alanine derivative.
The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CCCNC(=N)N</smiles> is an L-arginine derivative that is the amide obtained by formal condensation of the carboxy group of L-arginine 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-arginine derivative.
The molecule <smiles>OC(=O)C#CC=1C=CC=CC1</smiles> is an acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. Its functional parent is propynoic acid.  It is also related to or classified as acetylenic compound . It is also related to or classified as benzenes, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)(O)OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> is A phosphatidylinositol mannoside having on a myo-inositol ring a phosphatidyl moiety (carrying palmitoyl and 10-methyloctadecanoyl groups) at the 1-position, an alpha-D-mannosyl residue at the 2-position, a palmitoyl group at the 5-position and a 6-O-palmitoyl-alpha-D-mannosyl group at the 6-position. It has the role of allergen. It has the role of bacterial metabolite. It is a conjugate acid of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphonato}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol. It is also related to or classified as phosphatidylinositol mannoside.
The molecule <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> is an anionic phospholipid that is the conjugate base of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol, obtained by deprotonation of the phosphate group. It has the role of allergen. It has the role of bacterial metabolite. It is also related to or classified as anionic phospholipid.
The molecule <smiles>[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OS(=O)(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(/C(=C/[C@H](C[C@H](C[C@H](CCCCCCCCCCCCCCCCCCCCCC)C)C)C)/C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> is A sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2S,4S,6S,8S)-2,4,6,8-tetramethyltriacontanoic acid. It has the role of allergen. Its functional parent is alpha,alpha-trehalose. It is also related to or classified as sulfoglycolipid, polyacyl alpha,alpha-trehalose derivative.
The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC(N)=O</smiles> is an L-asparagine derivative that is the amide obtained by formal condensation of the carboxy group of L-asparagine 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-asparagine derivative.
The molecule <smiles>N1C2=C(C3=C1C(CCC3)C(=O)N)C=C(C=C2)Cl</smiles> is A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole  which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organochlorine compound . It is also related to or classified as carbazoles.
The molecule <smiles>O(C[C@@H](OC(CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCC)[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO</smiles> is A beta-D-galactopyranosyl diglyceride that consists of 2,3-diacyl-sn-glycerol having dodecanoyl as the acyl groups and the beta-D-galactopyranosyl residue attached at position 1. It is also related to or classified as beta-D-galactopyranosyl diglyceride .
The molecule <smiles>C([C@H](CC1=CC=C(C=C1)O)NS(O)(=O)=O)(O)=O</smiles> is an N-acyl-L-tyrosine obtained by replaceing one of the amino hydrogens with a sulfo group. Its functional parent is sulfamic acid. It is also related to or classified as N-acyl-L-tyrosine.
The molecule <smiles>N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC1=CC=CC=C1</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of L-glutamine. It is also related to or classified as dipeptide .
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 an oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of (1R,2R,5S)-AH23848. It is also related to or classified as oxo monocarboxylic acid anion.
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 an oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of (1S,2S,5R)-AH23848. It is also related to or classified as oxo monocarboxylic acid anion.
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@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)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)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[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H](C(O[C@@H]%17CO[C@H]%18[C@H]([C@@H]([C@@H]([C@@H](O%18)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is an octadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked two beta-D-galactosyl-(1->4)-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-(1->2)-alpha-D-mannosyl linear heptasaccharide units [linked (1->3) and (1->6)], while to the N-acetyl-beta-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>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol. It is also related to or classified as organic sodium salt.
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 S-, S- and R-configuration respectively. It is a conjugate acid of (1S,2S,5R)-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 .