anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. It is also related to or classified as oligosaccharide phosphate , glucosamine oligosaccharide , amino octasaccharide .
The molecule C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)O)C)[O-] C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)O)C)[O-] is A member of the class of quinoline N-oxides that is 2-methyl-1-oxo-4-3,4-dihydroquinoline-3,4-diol carrying an additional (2E,6E)-farnesyl group at position 4. It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as quinoline N-oxide , olefinic compound .
The molecule C(O)[C@H]1OC(O)C[C@@H]1O C(O)[C@H]1OC(O)C[C@@H]1O is A deoxypentose that is D-ribofuranose in which the hydroxy group at position C-2 is replaced by hydrogen. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as deoxypentose  .
The molecule C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of N-benzoyl-L-leucine 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 L-phenylalanine derivative .
The molecule C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. It is also related to or classified as oligosaccharide phosphate , glucosamine oligosaccharide , amino octasaccharide .
The molecule N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC(=CC3)O)C([C@@H](N)CO)=O N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC(=CC3)O)C([C@@H](N)CO)=O is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-seryl-L-tyrosine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .
The molecule C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCCC)O)CCCCCCC([O-])=O C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCCC)O)CCCCCCC([O-])=O is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human xenobiotic metabolite . Its functional parent is prostaglandin G1(1-) . It is also related to or classified as prostaglandin carboxylic acid anion , oxylipin anion .
The molecule C([C@@H](CC)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC([O-])=O C([C@@H](CC)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC([O-])=O is A 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human xenobiotic metabolite . It is also related to or classified as 18-HETE(1-)  .
The molecule C(=C\C\C=C/C=C/[C@H](C/C=C\C/C=C\CC)OO)\CCCC([O-])=O C(=C\C\C=C/C=C/[C@H](C/C=C\C/C=C\CC)OO)\CCCC([O-])=O is A 12-HPEPE anion that is the conjugate base of 12(S)-HpEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate . It is also related to or classified as 12-HPEPE(1-)  . It is also related to or classified as hydroperoxyicosapentaenoate .
The molecule O(C[C@@H](C(CO)=O)O)P([O-])(=O)[O-] O(C[C@@H](C(CO)=O)O)P([O-])(=O)[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-erythrulose 4-phosphate. Major structure at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCC(C)O)O)CCCCCCC([O-])=O C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCC(C)O)O)CCCCCCC([O-])=O is A prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human xenobiotic metabolite . It is also related to or classified as prostaglandin carboxylic acid anion , oxylipin anion .
The molecule O([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)COP(=O)(O)O)O)O)O)O)[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@@H]([C@H](O[C@@H]([C@H]4O)CO)O[C@@H]5C(O[C@@H]([C@H]([C@@H]5O)O)CO)O)O)O O([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)COP(=O)(O)O)O)O)O)O)[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@@H]([C@H](O[C@@H]([C@H]4O)CO)O[C@@H]5C(O[C@@H]([C@H]([C@@H]5O)O)CO)O)O)O is an oligosaccharide phosphate consisting of four alpha(1->3)-linked D-mannose residues, with the residue at the non-reducing end carrying a phosphate group at position 6, and with that at the reducing end being alpha(1->2)-linked to a further D-mannose residue; prepared from the phosphomannan fraction of Hansenula holstii. It has the role of epitope . It is also related to or classified as oligosaccharide phosphate .
The molecule [C@H](CCCC([O-])=O)(/C=C/C=C\C[C@H](/C=C/C=C\CCCCC)O)O [C@H](CCCC([O-])=O)(/C=C/C=C\C[C@H](/C=C/C=C\CCCCC)O)O is an icosanoid anion that is the conjugate base of 5(S),11(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has the role of human xenobiotic metabolite . It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as long-chain fatty acid anion  .
The molecule C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. It is also related to or classified as oligosaccharide phosphate , glucosamine oligosaccharide , amino nonasaccharide .
The molecule C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)=O)C)[O-] C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)=O)C)[O-] is A member of the class of quinoline N-oxides that is 4-hydroxy-2-methyl-3-oxo-3,4-dihydroquinoline-1-oxide carrying an additional (2E,6E)-farnesyl group at position 4. It has the role of bacterial metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as tertiary alcohol  . It is also related to or classified as quinoline N-oxide , cyclic ketone , olefinic compound .
The molecule C(CCC[C@@H](/C=C/C=C\C\C=C/C=C/[C@H](CCCCC)O)O)([O-])=O C(CCC[C@@H](/C=C/C=C\C\C=C/C=C/[C@H](CCCCC)O)O)([O-])=O is an icosanoid anion that is the conjugate base of 5(S),15(S)-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has the role of human xenobiotic metabolite . It has the role of rat metabolite . It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion , icosanoid anion , polyunsaturated fatty acid anion .
The molecule [H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O [H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O is sedoheptulose 1-phosphate. Its functional parent is sedoheptulose . It is also related to or classified as ketoheptose phosphate .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(=O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(=O)C is A cyclic tetrapyrrole anion that is obtained from 3-acetylchlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C(CCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](CCCCC)O)O)([O-])=O C(CCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](CCCCC)O)O)([O-])=O is an icosanoid anion that is the conjugate base of 5(S),15(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has the role of human xenobiotic metabolite . It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion , icosanoid anion , polyunsaturated fatty acid anion .
The molecule C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. It is also related to or classified as oligosaccharide phosphate , glucosamine oligosaccharide , amino nonasaccharide .
The molecule C(\CC)=C\C\C=C/C=C/[C@@H](C/C=C\C/C=C\CCCC(=O)[O-])O C(\CC)=C\C\C=C/C=C/[C@@H](C/C=C\C/C=C\CCCC(=O)[O-])O is an icosanoid anion that is the conjugate base of 11(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3. It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite . It has the role of algal metabolite .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as HEPE(1-) , icosanoid anion .
The molecule C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3 C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3 is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycyl-L-phenylalanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .
The molecule C(CC/C=C\C/C=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)O)(=O)[O-] C(CC/C=C\C/C=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)O)(=O)[O-] is A hydroxy polyunsaturated fatty acid anion that is the conjugate base of 17(R)-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxydocosahexaenoate , hydroxy fatty acid anion , polyunsaturated fatty acid anion .
The molecule C(\CC)=C\C/C=C\C=C\[C@@H](C/C=C\C/C=C\CCCCCC(=O)[O-])O C(\CC)=C\C/C=C\C=C\[C@@H](C/C=C\C/C=C\CCCCCC(=O)[O-])O is A polyunsaturated fatty acid anion that is the conjugate base of (13R)-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. It is an intermediate in 13-series resolvins biosynthesis from DPA (omega-3). It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate . It is also related to or classified as hydroxydocosapentaenoate .
The molecule C=1C=CC=C(C1)C[C@@H](C(N2[C@H](C(=O)N[C@@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)C(C)C)=O)C)=O)CC(C)C)=O)CCC2)=O)NC([C@H](CC3=CNC=4C=CC=CC34)NC([C@H](C(O)C)NC([C@@H](NC([C@H](CC5=CNC=6C=CC=CC56)NC([C@@H](NC([C@@H](N)C(C)C)=O)CO)=O)=O)CCCCN)=O)=O)=O C=1C=CC=C(C1)C[C@@H](C(N2[C@H](C(=O)N[C@@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)C(C)C)=O)C)=O)CC(C)C)=O)CCC2)=O)NC([C@H](CC3=CNC=4C=CC=CC34)NC([C@H](C(O)C)NC([C@@H](NC([C@H](CC5=CNC=6C=CC=CC56)NC([C@@H](NC([C@@H](N)C(C)C)=O)CO)=O)=O)CCCCN)=O)=O)=O is A twelve-membered polypeptide comprising the sequence Val-Ser-Trp-Lys-Thr-Trp-Phe-Pro-Asn-Leu-Ala-Val. It is also related to or classified as polypeptide  .
The molecule C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COP(=O)(O)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O C1([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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COP(=O)(O)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. It is also related to or classified as oligosaccharide phosphate , glucosamine oligosaccharide , amino nonasaccharide .
The molecule C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC(C)C)=O)CCCCN)=O)CC=2C=CC=CC2)=O)CC3=CNC4=C3C=CC=C4)CC(=O)O)=O)CCCNC(=N)N)=O)CC5=CNC6=C5C=CC=C6)=O)C(C)C)([C@H](CCC(=O)N)NC(=O)[C@H]7N(CCC7)C([C@@H](N)C(CC)C)=O)=O C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC(C)C)=O)CCCCN)=O)CC=2C=CC=CC2)=O)CC3=CNC4=C3C=CC=C4)CC(=O)O)=O)CCCNC(=N)N)=O)CC5=CNC6=C5C=CC=C6)=O)C(C)C)([C@H](CCC(=O)N)NC(=O)[C@H]7N(CCC7)C([C@@H](N)C(CC)C)=O)=O is A twelve-membered polypeptide comprising the sequence Ile-Pro-Gln-Val-Trp-Arg-Asp-Trp-Phe-Lys-Leu-Pro. It is also related to or classified as polypeptide  .
The molecule C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P(O)(=O)O)(Cl)Cl)(=O)O)(=O)O)NCCSC)SCCC(F)(F)F C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P(O)(=O)O)(Cl)Cl)(=O)O)(=O)O)NCCSC)SCCC(F)(F)F is A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. It has the role of platelet aggregation inhibitor . It has the role of P2Y12 receptor antagonist . It is a conjugate acid of cangrelor(4-) .  It is also related to or classified as organochlorine compound  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as aryl sulfide , adenosine 5'-phosphate , nucleoside triphosphate analogue , secondary amino compound .
The molecule C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P([O-])(=O)[O-])(Cl)Cl)(=O)[O-])(=O)[O-])NCCSC)SCCC(F)(F)F C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P([O-])(=O)[O-])(Cl)Cl)(=O)[O-])(=O)[O-])NCCSC)SCCC(F)(F)F is an organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of cangrelor. It is also related to or classified as organophosphate oxoanion , organophosphonate oxoanion .
The molecule C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P([O-])(=O)[O-])(Cl)Cl)(=O)[O-])(=O)[O-])NCCSC)SCCC(F)(F)F.[Na+].[Na+].[Na+].[Na+] C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P([O-])(=O)[O-])(Cl)Cl)(=O)[O-])(=O)[O-])NCCSC)SCCC(F)(F)F.[Na+].[Na+].[Na+].[Na+] is an organic sodium salt that is the tetrasodium salt of cangrelor. Used as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. It has the role of platelet aggregation inhibitor . It has the role of P2Y12 receptor antagonist . It is also related to or classified as organic sodium salt .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC[C@H](N)C(O)=O)NC(C)=O)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC[C@H](N)C(O)=O)NC(C)=O)O)O)CO is an O-glycosyl-L-serine having N-acetyl-beta-D-glucosaminyl as the glycosyl component. It is also related to or classified as O-glycosyl-L-serine  . It is also related to or classified as monosaccharide derivative , non-proteinogenic L-alpha-amino acid .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C is A cyclic tetrapyrrole anion that is that carbide ion obtained from geranylgeranyl bacteriochlorophyllide a via removal of the acidic proton at position 21. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Its functional parent is bacteriochlorophyllide a(2-) . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F is A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. It has the role of antineoplastic agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .  It is also related to or classified as tertiary alcohol  .  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 piperidines , aromatic amine , N-acylazetidine , secondary amino compound .
The molecule C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F.C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F.C(\C(O)=O)=C/C(O)=O C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F.C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F.C(\C(O)=O)=C/C(O)=O is A fumarate salt prepared from cobimetinib by reaction of one molecule of fumaric acid for every two molecules of cobimetinib. An inhibitor of mitogen-activated protein kinase that is used in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. It has the role of antineoplastic agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as organoammonium salt , fumarate salt .
The molecule C12=C(C(=CC=C1N(C(=N2)NC=3C(=CC(=CC3)F)F)C)OC=4C=CN=C(C4)NC(C)=O)C C12=C(C(=CC=C1N(C(=N2)NC=3C(=CC(=CC3)F)F)C)OC=4C=CN=C(C4)NC(C)=O)C is A memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity. It has the role of antineoplastic agent . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor .      It is also related to or classified as difluorobenzene  . It is also related to or classified as acetamides , benzimidazoles , pyridines , aromatic amine , aromatic ether , secondary amino compound .