mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S(O)(=O)=O)O)=O</smiles> is A member of the class of hydroxyanthraquinones that is 1,3-dihydroxyanthraquinone carrying additional sulfo and amino substituents at positions 2 and 4 respectively. The sodium salt is the histological dye 'nuclear fast red'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of nuclear fast red(1-).  It is also related to or classified as dihydroxyanthraquinone . It is also related to or classified as primary arylamine . It is also related to or classified as arenesulfonic acid.
The molecule <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S([O-])(=O)=O)O)=O</smiles> is an organosulfonate oxoanion that is the conjugate base of nuclear fast red free acid, obtained by deprotonation of the sulfo group. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>OC(C(CN(C)C)N)=O</smiles> is an alanine derivative obtained by replacement of one of the methyl hydrogens of alanine by a dimethylamino group. It is also related to or classified as alanine derivative, leucine derivative, tertiary amino compound, non-proteinogenic alpha-amino acid.
The molecule <smiles>[Si](OC=1C=C(C(O[Si](C)(C)C)=O)C=CC1OC)(C)(C)C</smiles> is A benzoate ester that is 3-hydroxy-4-methoxybenzoic acid in which the carboxy and phenolic hydrogens are replaced by trimethylsilyl groups. Its functional parent is 3-hydroxy-4-methoxybenzoic acid.   It is also related to or classified as silyl ether . It is also related to or classified as monomethoxybenzene, benzoate ester.
The molecule <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC.[Cl-]</smiles> is an organic chloride salt composed of 1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic chloride salt.
The molecule <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S([O-])(=O)=O)O)=O.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt.
The molecule <smiles>N(CCC)(CC)CC</smiles> is A tertiary amine that is propylamine in which the two amino hydrogens are replaced by ethyl groups. It is also related to or classified as tertiary amine .
The molecule <smiles>O=C(N(CCC)CCC)[H]</smiles> is A formamide in which the amide hydrogens of formamide are replaced by propyl groups. It is also related to or classified as formamides.
The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red 4B (acid form). It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>[C@H]1(CCC(N1C)=O)C(=O)OC</smiles> is an alpha-amino acid ester that is the methyl ester of 1-methyl-5-oxo-L-proline. It is also related to or classified as alpha-amino acid ester . It is also related to or classified as L-proline derivative.
The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(C=5C=CC=CC5)=O</smiles> is A naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'. It has the role of fluorochrome. It has the role of poison. It has the role of histological dye. It has the role of environmental contaminant. It is a conjugate acid of Sirius red 4B(2-). It is also related to or classified as azobenzenes . It is also related to or classified as benzamides, naphthols, naphthalenesulfonic acid, bis(azo) compound.
The molecule <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)O)O)=O)S(O)(=O)=O)N</smiles> is A member of the class of benzoisoquinolines that is 6-amino-1,3-dioxo-5-sulfobenzo[de]isoquinoline substituted at position 2 by a 3-carboxy-4-hydroxyphenyl group. The disodium salt is the histological dye 'Chrome fast yellow 8GL'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of Chrome fast yellow 8GL(2-).   It is also related to or classified as dicarboximide .  It is also related to or classified as primary arylamine . It is also related to or classified as monohydroxybenzoic acid, arenesulfonic acid, benzoisoquinoline.
The molecule <smiles>C12=C(C=C(C(=C1O)/N=N/C3=CC=C(C=C3OC)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(O)(=O)=O)N)S(O)(=O)=O)OC)S(O)(=O)=O)C=C(C=C2N)S(O)(=O)=O</smiles> is A ring assembly consisting of two 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid units joined by a 4,4'-linkage. The tetrasodium salt is the histological dye 'Pontamine sky blue 5B'. It has the role of carcinogenic agent. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of Pontamine sky blue 5B(4-). It is also related to or classified as azobenzenes . It is also related to or classified as naphthols, aromatic ether, ring assembly, aminonaphthalenesulfonic acid, bis(azo) compound.
The molecule <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)[O-])O)=O)S([O-])(=O)=O)N</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo and carboxy groups of Chrome fast yellow 8GL (acid form).  It is also related to or classified as organosulfonate oxoanion . It is also related to or classified as monohydroxybenzoate.
The molecule <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C=CC=C2</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Congo corinth (acid form). It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.Cl</smiles> is A hydrochloride obtained by combining Hoffman's violet free base with one molar equivalent of hydrogen chloride. A specific stain for animal chromosomes. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as hydrochloride.
The molecule <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S(O)(=O)=O)S(O)(=O)=O)C=CC=C2</smiles> is an aminonaphthalenesulfonic acid that is 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(diazene-2,1-diyl)]di(naphthalene-1-sulfonic acid) in which the two hydrogens at the 4-positions on the naphthalene rings are placed by amino and hydroxy groups. The disodium salt is the histological dye 'Congo corinth'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of Congo corinth(2-). It is also related to or classified as azobenzenes . It is also related to or classified as naphthols, ring assembly, aminonaphthalenesulfonic acid, bis(azo) compound.
The molecule <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)[O-])O)=O)S([O-])(=O)=O)N.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Chrome fast yellow 8GL (acid form) with two equivalents of sodium hydroxide. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt.
The molecule <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C=CC=C2.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Congo corinth (acid form) with two equivalents of sodium hydroxide. A histological dye used to stain frozen sections for rapid diagnosis and to demonstrate amuloid. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt.
The molecule <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC</smiles> is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and diethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Celestin blue B'. It is also related to or classified as organic cation.
The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods. It has the role of fluorochrome. It has the role of poison. It has the role of histological dye. It has the role of environmental contaminant. It is also related to or classified as organic sodium salt.
The molecule <smiles>C1=C(C=C(C=C1O)Cl)Cl</smiles> is A dichlorophenol in which the two chloro substituents are located at positions 3 and 5. It is also related to or classified as dichlorophenol.
The molecule <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S([O-])(=O)=O)C)N</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonic acid. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>O=[Os](=O)(=O)=O</smiles> is an osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. It has the role of NMR chemical shift reference compound. It has the role of fixative. It has the role of oxidising agent. It has the role of poison. It has the role of histological dye. It is also related to or classified as osmium coordination entity.
The molecule <smiles>[Pb](Cl)Cl</smiles> is an inorganic chloride consisting of two chlorine atoms covalently bound to a central lead atom. It is also related to or classified as inorganic chloride, lead coordination entity.
The molecule <smiles>C1=C(C(=CC(=C1C)N=NC2=C3C(=CC=C2O)C=CC=C3)C)N=NC4=C(C=CC(=C4)C)C</smiles> is A bis(azo) compound that is 2-naphthol substituted at position 1 by a {4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. It has the role of histological dye. Its functional parent is 2-naphthol. It is also related to or classified as azobenzenes . It is also related to or classified as naphthols, bis(azo) compound.
The molecule <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S(O)(=O)=O)C)N</smiles> is an arenesulfonic acid that is 2-methoxybenzenesulfonic acid substituted at position 5 by a (4-amino-5-methoxy-2-methylphenyl)diazenyl group. The sodium salt is the histological dye 'Sirius scarlet GG'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonate. It is also related to or classified as azobenzenes . It is also related to or classified as arenesulfonic acid, aromatic ether, substituted aniline.
The molecule <smiles>OC(=O)CNC1=C(OCCOC2=CC(OC)=CC=C2N(CC(=O)O)CC(=O)O)C=C(C=C1)C3=C4C=C(F)C(=O)C=C4OC5=CC(O)=C(F)C=C35</smiles> is A member of the class of xanthenes that is used as a Zn(2+)-selective fluorescent indicator. It has the role of chelator. It has the role of visual indicator. It has the role of histological dye.  It is also related to or classified as phenols .  It is also related to or classified as organofluorine compound . It is also related to or classified as tricarboxylic acid, aromatic ether, xanthenes, cyclic ketone, substituted aniline.
The molecule <smiles>C(\C)(/CCC=C(C)C)=C\CC\C(=C\COP([O-])(=O)[O-])\C</smiles> is an organophosphate oxoanion that is the dianion obtained by removal of the two protons from the monophosphate group of (2E,6E)-farnesyl monophosphate. Major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S([O-])(=O)=O)C)N.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonic acid. Occasionally used for the selective staining of amyloid. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt.
The molecule <smiles>C1=C(C2=C(C(=C1)N=NC3=C4C5=C(C=C3)NC(NC5=CC=C4)(C)C)C=CC=C2)N=NC6=CC=CC=C6</smiles> is A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. It has the role of histological dye. It is also related to or classified as azobenzenes . It is also related to or classified as perimidines, bis(azo) compound.
The molecule <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.[H+]</smiles> is an organic cation obtained by protonation of the free base form of Hoffman's violet. It is a conjugate acid of Hoffman's violet free base. It is also related to or classified as organic cation.
The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C([O-])=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C([O-])=O)[H])O)CO</smiles> is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1b(d18:1/C18:0); major species at pH 7.3. It is also related to or classified as beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-) . It is also related to or classified as anionic ganglioside.
The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C(O)=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C(O)=O)[H])O)CO</smiles> is A beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-). It is also related to or classified as beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer .
The molecule <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC</smiles> is A aromatic amine, the hydrochloride salt of which is the histological dye 'Hoffman's violet' (used as a specific stain for animal chromosomes). It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as imine . It is also related to or classified as aromatic amine, secondary amino compound, olefinic compound.
The molecule <smiles>C=12NC3(C(C4=NC(=CC=5NC=6C(=C7N=C(C1)[C@H]([C@@H]7CCC([O-])=O)C)[C-](C(C6C5C)=O)C(=O)OC)C(=C4C)CC)O3)C(=C2C)C=C</smiles> is A cyclic tetrapyrrole anion obtained by removal of two protons from the carboxy and acidic methylene groups of epoxypheophorbide a. It is also related to or classified as cyclic tetrapyrrole anion.
The molecule <smiles>C(\C)(/CCC=C(C)C)=C\CC\C(=C\COP(O)(=O)O)\C</smiles> is A member of the class of farnesyl phosphates that is the monophosphatr derivative of (2E,6E)-farnesol. It has the role of PPARalpha agonist. It has the role of PPARbeta/delta agonist. It has the role of plant metabolite. It has the role of rat metabolite. Its functional parent is (2-trans,6-trans)-farnesol. It is a conjugate acid of (2E,6E)-farnesyl monophosphate(2-). It is also related to or classified as farnesyl phosphate.
The molecule <smiles>[C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](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)CO)O)[H])C(O)=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)CO)O)[H])C(O)=O</smiles> is an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(4-). It is also related to or classified as alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-D-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer .
The molecule <smiles>[C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](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-])CO)O)[H])C([O-])=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C([O-])=O)CO)O)[H])C([O-])=O</smiles> is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GQ1b (d18:1/C18:0); major species at pH 7.3. It is also related to or classified as alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1)(4-) . It is also related to or classified as anionic ganglioside.
The molecule <smiles>C(CN(CC1=NC=CC=C1)CC2=NC=CC=C2)N(CC3=NC=CC=C3)CC4=NC=CC=C4</smiles> is an N-substituted diamine that is ethylenediamine in which the four amino hydrogens are replaced by 2-pyridylmethyl groups. It has the role of copper chelator. It has the role of chelator. It has the role of apoptosis inducer. Its functional parent is ethylenediamine. It is also related to or classified as pyridines, N-substituted diamine, tertiary amino compound.
The molecule <smiles>N12C=3C=4N(C=5C=CC=CC5C4C6=C(C3C7=C1C=CC=C7)C(NC6)=O)[C@@]8(O[C@]2(C[C@]8(N)C(=O)NC)[H])C</smiles> is an organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of 3-amino-N,2-dimethyloxolane-3-carboxamide (the 2R,3R,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. It has the role of antineoplastic agent. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is also related to or classified as monocarboxylic acid amide .     It is also related to or classified as hemiaminal . It is also related to or classified as bridged compound, organic heterooctacyclic compound, primary amino compound, indolocarbazole, gamma-lactam.
The molecule <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](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-])CO)O)[H])C([O-])=O</smiles> is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD3 (d18:1/C18:0); major species at pH 7.3. It is also related to or classified as ganglioside GD3(2-) . It is also related to or classified as anionic ganglioside.
The molecule <smiles>C=12NC3(C(C4=NC(=CC=5NC=6C(=C7N=C(C1)[C@H]([C@@H]7CCC(O)=O)C)[C@H](C(C6C5C)=O)C(=O)OC)C(=C4C)CC)O3)C(=C2C)C=C</smiles> is A member of the class of pheophorbides obtained by formal epoxidation of pheophorbide a. Its functional parent is pheophorbide a. It is a conjugate acid of epoxypheophorbide a(1-). It is also related to or classified as epoxide . It is also related to or classified as pheophorbide .
The molecule <smiles>[C@@H]1(C[C@H](O)[C@H](O1)CO)N2C=3N=CN=C(C3C=C2)N</smiles> is an N-glycosylpyrrolopyrimidine that is tubercidin in which the hydroxy group at position 2 of the ribose moiety has been replaced by a hydrogen. It is also related to or classified as deoxyribonucleoside, N-glycosylpyrrolopyrimidine.
The molecule <smiles>C1(=CC=C(C(=C1NC=2C(=CC(=CC2)I)F)F)F)C(NOC[C@@H](CO)O)=O</smiles> is A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). It has the role of antineoplastic agent. It has the role of EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor.  It is also related to or classified as organoiodine compound . It is also related to or classified as difluorobenzene .  It is also related to or classified as hydroxamic acid ester . It is also related to or classified as monofluorobenzenes . It is also related to or classified as propane-1,2-diols, secondary amino compound.
The molecule <smiles>O1[C@H](OP(OP(=O)(OC[C@H]2O[C@@H](N3C=CC(NC3=O)=O)[C@@H]([C@@H]2O)O)O)(=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O</smiles> is A UDP-L-iduronate in which the anomeric centre of the sugar component has beta-configuration. It is also related to or classified as UDP-L-iduronic acid .
The molecule <smiles>C(CNC(CC[C@@H](C(=O)O)N)=O)C1=CC=C(C=C1)OCC2=COC(=C2)CN</smiles> is A L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of L-glutamine with one of the amino groups of 2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethan-1-amine. It has the role of bacterial metabolite. It is also related to or classified as furans, L-glutamine derivative, aromatic ether, primary amino compound.
The molecule <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](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)CO)O)[H])C(O)=O</smiles> is an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-). It is also related to or classified as alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide .
The molecule <smiles>CCC1=C(C)C2=N\C1=C/C1=C(C)C3=C(N1)\C([C-](C(=O)OC)C3=O)=C1/[NH+]=C(/C=C3\NC4(OC24)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC([O-])=O</smiles> is A cyclic tetrapyrrole anion that is the conjuagte base of epoxypheophorbide a. Major microspecies at pH 7.3 (according to Marvin v. 6.2.0). It is a conjugate acid of epoxypheophorbide a(2-). It is also related to or classified as cyclic tetrapyrrole anion.