anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(N[C@H](C(N[C@@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC=1C=CC=CC1)=O)CC2=CNC=N2)=O)C(O)C)=O)CCCCN)=O)CC=3C=4C=CC=CC4NC3)=O)CC=5C=6C=CC=CC6NC5)=O)CCCCN)=O)C)=O)C(O)C)=O)=O)C(CC)C)([C@H](CCC(=O)N)N)=O C(N[C@H](C(N[C@@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC=1C=CC=CC1)=O)CC2=CNC=N2)=O)C(O)C)=O)CCCCN)=O)CC=3C=4C=CC=CC4NC3)=O)CC=5C=6C=CC=CC6NC5)=O)CCCCN)=O)C)=O)C(O)C)=O)=O)C(CC)C)([C@H](CCC(=O)N)N)=O is A twelve-membered polypeptide comprising the sequence Gln-Ile-Asn-Thr-Ala-Lys-Trp-Trp-Lys-Thr-His-Phe. It is also related to or classified as polypeptide  .
The molecule C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C.Cl C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C.Cl is A hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of the hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. It has the role of antiemetic . It has the role of neurokinin-1 receptor antagonist . It is also related to or classified as hydrochloride .
The molecule C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2([NH2+]C[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2([NH2+]C[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C is an organic cation obtained by protonation of the secondary amino group of rolapitant. It is a conjugate acid of rolapitant . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule N1C(=CC(=C1C(=O)O)C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5 N1C(=CC(=C1C(=O)O)C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5 is A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups. It has the role of bacterial metabolite . It is a conjugate acid of protodeoxyviolaceinate . It is also related to or classified as indoles , pyrrolecarboxylic acid , monocarboxylic acid .
The molecule N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C is an L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection. It has the role of antiviral drug . It has the role of prodrug . It has the role of HIV-1 reverse transcriptase inhibitor . Its functional parent is adenine . It is also related to or classified as 6-aminopurines  . It is also related to or classified as ether  .  It is also related to or classified as isopropyl ester  . It is also related to or classified as phosphoramidate ester , L-alanine derivative .
The molecule N1=CN=C2C(=C1[NH3+])N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C N1=CN=C2C(=C1[NH3+])N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C is an organic cation obtained by protonation of the exocyclic amino group of tenofovir alafenamide. It is a conjugate acid of tenofovir alafenamide . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C1[C@H](CC[C@@H](C1)CCN2CCN(CC2)C=3C(=C(C=CC3)Cl)Cl)NC(N(C)C)=O C1[C@H](CC[C@@H](C1)CCN2CCN(CC2)C=3C(=C(C=CC3)Cl)Cl)NC(N(C)C)=O is an N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. It has the role of serotonergic antagonist . It has the role of dopamine agonist . It has the role of second generation antipsychotic . It is also related to or classified as dichlorobenzene  . It is also related to or classified as N-alkylpiperazine , N-arylpiperazine , ureas .
The molecule C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O is an organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. 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 nitrile  . It is also related to or classified as piperidines , organic heterotetracyclic compound , morpholines , aromatic ketone .
The molecule C=1(C=C2C(=CC1)CCC(N2COC(CCCCCCCCCCC)=O)=O)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl C=1(C=C2C(=CC1)CCC(N2COC(CCCCCCCCCCC)=O)=O)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl is A dodecanoate ester obtained by formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methanol. A prodrug for aripiprazole, it is used for treatment of schizophrenia. It has the role of serotonergic agonist . It has the role of H1-receptor antagonist . It has the role of prodrug . It has the role of second generation antipsychotic . It is also related to or classified as dichlorobenzene  .     It is also related to or classified as delta-lactam  . It is also related to or classified as dodecanoate ester  . It is also related to or classified as quinolone , aromatic ether , N-alkylpiperazine , N-arylpiperazine .
The molecule [C@@H](CC(O)(C(F)(F)F)C(F)(F)F)(O)[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@H](CC4=CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])C)[H] [C@@H](CC(O)(C(F)(F)F)C(F)(F)F)(O)[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@H](CC4=CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])C)[H] is A 3beta-hydroxy steroid that is androst-5-en-3beta-ol in which the 17beta-hydrogen has been replaced by a 1,3-dihydroxy-3,3-bis(trifluoromethyl)propyl group. NCS172285 (also known as acts as NSC12) has been used as an extracellular fibroblast growth factor (FGF) trap with implications in cancer therapy. The stereochemistry shown is that of the most active stereoisomer, as determined by Mattia Anselmi (PhD thesis, University of Parma, 2015). It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 20-hydroxy steroid , fluorinated steroid .
The molecule C1=CC=2C(C=C1)=[N+](C(=C3C2C[C@@](O3)([C@](CC/C=C(/CCC=C(C)C)\C)(O)C)[H])C)[O-] C1=CC=2C(C=C1)=[N+](C(=C3C2C[C@@](O3)([C@](CC/C=C(/CCC=C(C)C)\C)(O)C)[H])C)[O-] is an A-type aurichin that is 1,2-dihydrofuro[2,3-c]quinoline 5-oxide which is substituted at position 2 by a (6E)-10-hydroxy-2,6-dimethylundeca-2,6-dien-10-yl group and at position 4 by a methyl group (relative configuration shown). Found in the myxobacterium Stigmatella aurantiaca strain Sg a15. It has the role of antibacterial agent . 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 quinoline N-oxide , furoquinoline , A-type aurachin .
The molecule C(NCC(=O)N[C@@H](CC(C)C)B(O)O)(C1=CC(=CC=C1Cl)Cl)=O C(NCC(=O)N[C@@H](CC(C)C)B(O)O)(C1=CC(=CC=C1Cl)Cl)=O is A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. It has the role of antineoplastic agent . It has the role of drug metabolite . It has the role of proteasome inhibitor . It has the role of apoptosis inducer . It has the role of orphan drug .  It is also related to or classified as dichlorobenzene  .  It is also related to or classified as boronic acids  . It is also related to or classified as benzamides , glycine derivative .
The molecule CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2 CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2 is A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. It has the role of antineoplastic agent . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as secondary carboxamide  . It is also related to or classified as acrylamides , indoles , monomethoxybenzene , aminopyrimidine , substituted aniline , secondary amino compound , tertiary amino compound , biaryl .
The molecule Cl.C1[C@H](CC[C@@H](C1)CCN2CCN(CC2)C=3C(=C(C=CC3)Cl)Cl)NC(N(C)C)=O Cl.C1[C@H](CC[C@@H](C1)CCN2CCN(CC2)C=3C(=C(C=CC3)Cl)Cl)NC(N(C)C)=O is A hydrochloride obtained by combining cariprazine with one molar equivalent of hydrochloric acid. Used for treatment of schizophrenia and bipolar disorder. It has the role of serotonergic antagonist . It has the role of dopamine agonist . It has the role of second generation antipsychotic . It is also related to or classified as hydrochloride .
The molecule C1[C@H](CC[C@@H](C1)CCN2CCN(CC2)C=3C(=C(C=CC3)Cl)Cl)NC(N(C)C)=O.[H+] C1[C@H](CC[C@@H](C1)CCN2CCN(CC2)C=3C(=C(C=CC3)Cl)Cl)NC(N(C)C)=O.[H+] is an organic cation obtained by protonation of cariprazine. It is a conjugate acid of cariprazine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.CS(O)(=O)=O CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.CS(O)(=O)=O is A methanesulfonate (mesylate) salt prepared from equimolar amounts of osimertinib and methanesulfonic acid. It is used for treatment of EGFR T790M mutation positive non-small cell lung cancer. It has the role of antineoplastic agent . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as methanesulfonate salt .
The molecule O=C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(=O)N[C@H](C(N1[C@H](C(=O)O)CCC1)=O)CCSC)=O)CO)=O)CO)=O)CCCNC(=N)N)=O)CCCCN)=O)C)=O)CCCCN)=O)CO)=O)C)[C@@H](N)CC(O)=O O=C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(=O)N[C@H](C(N1[C@H](C(=O)O)CCC1)=O)CCSC)=O)CO)=O)CO)=O)CCCNC(=N)N)=O)CCCCN)=O)C)=O)CCCCN)=O)CO)=O)C)[C@@H](N)CC(O)=O is A twelve-membered polypeptide comprising the sequence Asp-Ala-Ser-Lys-Ala-Lys-Arg-Ser-Ser-Gly-Met-Pro. It is also related to or classified as polypeptide  .
The molecule C(NCC(N[C@@H](CC(C)C)B1OC(C(O1)(CC(=O)O)CC(=O)O)=O)=O)(C2=CC(=CC=C2Cl)Cl)=O C(NCC(N[C@@H](CC(C)C)B1OC(C(O1)(CC(=O)O)CC(=O)O)=O)=O)(C2=CC(=CC=C2Cl)Cl)=O is A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma. It has the role of antineoplastic agent . It has the role of prodrug . It has the role of proteasome inhibitor . It has the role of apoptosis inducer . It has the role of orphan drug . Its functional parent is ixazomib .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , glycine derivative , oxo dicarboxylic acid , 1,3,2-dioxaborolane .
The molecule C1(C(NC2=CC=C(C(=N2)C3=CC(=CC=C3)C(O)=O)C)=O)(C4=CC5=C(C=C4)OC(O5)(F)F)CC1 C1(C(NC2=CC=C(C(=N2)C3=CC(=CC=C3)C(O)=O)C)=O)(C4=CC5=C(C=C4)OC(O5)(F)F)CC1 is an aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis. It has the role of CFTR potentiator . It has the role of orphan drug .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzoic acids , pyridines , benzodioxoles , cyclopropanes , aromatic amide .
The molecule [C@]12(CC[C@](C[C@@H]1O)(C(C)C)O2)C [C@]12(CC[C@](C[C@@H]1O)(C(C)C)O2)C is A cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration). It has the role of human xenobiotic metabolite . It has the role of rat metabolite . It is also related to or classified as cineole .
The molecule CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.[H+] CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.[H+] is an organic cation obtained by protonation of osimertinib. It is a conjugate acid of osimertinib . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C=1C=C(C2=C(C1N3C(=NN=C3Br)SCC(O)=O)C=CC=C2)C4CC4 C=1C=C(C2=C(C1N3C(=NN=C3Br)SCC(O)=O)C=CC=C2)C4CC4 is A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. It has the role of uricosuric drug .     It is also related to or classified as organobromine compound  . It is also related to or classified as monocarboxylic acid , naphthalenes , aryl sulfide , triazoles , cyclopropanes .
The molecule O1[C@H](CSCCC(=O)O)[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(O)=O)CSCCC(=O)O O1[C@H](CSCCC(=O)O)[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(O)=O)CSCCC(=O)O is an octasaccharide derivative that is gamma-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery. It has the role of neuromuscular agent . Its functional parent is gamma-cyclodextrin . It is a conjugate acid of sugammadex(8-) . It is also related to or classified as organic sulfide  . It is also related to or classified as octasaccharide derivative .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](CC(C)(C)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](CC(C)(C)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1alpha,23S-configuration). An intermediate in the degradation pathway of 1alpha,25-(OH)2D3. It has the role of human metabolite . Its functional parent is calciol .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as tetrol , D3 vitamins , hydroxy seco-steroid .
The molecule OC1=C2N[C@@H]([C@]3(N(C=C(/C=C/C)C3)C(=O)C2=CC(=C1C)O[C@H]4[C@@H]([C@]([C@H]([C@@H](O4)C)NC)(C)O)O)[H])O OC1=C2N[C@@H]([C@]3(N(C=C(/C=C/C)C3)C(=O)C2=CC(=C1C)O[C@H]4[C@@H]([C@]([C@H]([C@@H](O4)C)NC)(C)O)O)[H])O is an aminoglycoside antibiotic produced by Streptosporangium sibiricum that also exhibits antitumour properties. It has the role of antineoplastic agent . It has the role of bacterial metabolite .   It is also related to or classified as phenols  . It is also related to or classified as hemiaminal  . It is also related to or classified as pyrrolobenzodiazepine , aminoglycoside antibiotic .
The molecule C/1(/C(/CC(C\C1=C/C2=CN=CC=C2)CC)=C/C3=CN=CC=C3)=O C/1(/C(/CC(C\C1=C/C2=CN=CC=C2)CC)=C/C3=CN=CC=C3)=O is A cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells. It has the role of antineoplastic agent . It has the role of steroid receptor coactivator stimulator .   It is also related to or classified as enone  . It is also related to or classified as pyridines , cyclic ketone .
The molecule C(/C=C\C=C\[C@H](CCCCCO)O)=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O C(/C=C\C=C\[C@H](CCCCCO)O)=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O is A member of the class of lipoxins that is lipoxin A4 carrying an additional hydroxy substituent at position 20. It has the role of human xenobiotic metabolite . Its functional parent is lipoxin A4 . It is a conjugate acid of 20-hydroxylipoxin A4(1-) .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , lipoxin .
The molecule O1[C@H](CSCCC(=O)[O-])[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC([O-])=O)CSCCC(=O)[O-] O1[C@H](CSCCC(=O)[O-])[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC([O-])=O)CSCCC(=O)[O-] is A carbohydrate acid derivative anion obtained by global deprotonation of the carboxy groups of sugammadex. It is also related to or classified as carbohydrate acid derivative anion .
The molecule [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O1[C@H](CSCCC(=O)[O-])[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC([O-])=O)CSCCC(=O)[O-] [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O1[C@H](CSCCC(=O)[O-])[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC([O-])=O)CSCCC(=O)[O-] is an organic sodium salt that is the octasodium salt of sugammadex. Used for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery. It has the role of neuromuscular agent . It is also related to or classified as organic sodium salt .
The molecule O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.[Br-] O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.[Br-] is an organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has the role of bronchodilator agent . It has the role of muscarinic antagonist . It is also related to or classified as quaternary ammonium salt , organic bromide salt .
The molecule O(C(C(CCCCCCCCCCCCCCCCCCCCCC)O)=O)[C@H](CCCCCCCCCCCCCCC)CC(N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)CO)OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O)NC(C[C@@H](CCCCCCCCCCCCCCC)OC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)=O)OP(=O)(O)O)=O O(C(C(CCCCCCCCCCCCCCCCCCCCCC)O)=O)[C@H](CCCCCCCCCCCCCCC)CC(N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)CO)OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O)NC(C[C@@H](CCCCCCCCCCCCCCC)OC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)=O)OP(=O)(O)O)=O is A lipid A derivative, prepared from Campylobacter jejuni HS:19, in which each of its two glucosaminyl units is substituted on nitrogen by a 3-(2-hydroxytetracosanoyloxy)octadecanoyl unit. It is also related to or classified as lipid As .
The molecule [Br-].C(C(OC1C[N+](CC1)(C)C)=O)(C2CCCC2)(C=3C=CC=CC3)O [Br-].C(C(OC1C[N+](CC1)(C)C)=O)(C2CCCC2)(C=3C=CC=CC3)O is A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and  bromide ions in a 1:1 ratio. It is also related to or classified as quaternary ammonium salt , organic bromide salt .
The molecule [C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](O[C@@H]1CO[C@@]2(C[C@H]([C@H]([C@](O2)([C@@H](CO)O)[H])O[C@@H]3[C@H]([C@H]([C@@H]([C@](O3)([C@H](COP(O)(O)=O)O)[H])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@](O5)([C@@H](CO)O)[H])O)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)O)O)NC(=O)C)O[C@@]9(C[C@@H]([C@H]([C@@](O9)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)O)O)O)C(O)=O)OC[C@@H]%10[C@H]([C@@H]([C@H]([C@H](O%10)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O [C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](O[C@@H]1CO[C@@]2(C[C@H]([C@H]([C@](O2)([C@@H](CO)O)[H])O[C@@H]3[C@H]([C@H]([C@@H]([C@](O3)([C@H](COP(O)(O)=O)O)[H])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@](O5)([C@@H](CO)O)[H])O)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)O)O)NC(=O)C)O[C@@]9(C[C@@H]([C@H]([C@@](O9)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)O)O)O)C(O)=O)OC[C@@H]%10[C@H]([C@@H]([C@H]([C@H](O%10)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is A lipooligosaccharide, prepared from Campylobacter jejuni (strain HS:19). It binds with cholera toxin B. It is also related to or classified as lipooligosaccharide .
The molecule C(\C=C/C=C/C=C/[C@H]([C@H](CCCCCO)O)O)=C/[C@H](CCCC(O)=O)O C(\C=C/C=C/C=C/[C@H]([C@H](CCCCCO)O)O)=C/[C@H](CCCC(O)=O)O is A member of the class of lipoxins that is lipoxin B4 carrying an additional hydroxy substituent at position 20. It has the role of human xenobiotic metabolite . Its functional parent is lipoxin B4 . It is a conjugate acid of 20-hydroxylipoxin B4(1-) .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , lipoxin .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CCCC(C)C)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CCCC(C)C)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying an additional hydroxy group at position 20 with S-configuration. It has the role of human metabolite . It is also related to or classified as diol  . It is also related to or classified as hydroxycalciol  . It is also related to or classified as D3 vitamins .