anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC CCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC is A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as butanoyl. Its functional parent is butyric acid . It is a conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate  . It is also related to or classified as butyrate ester  .
The molecule C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C([O-])=O C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C([O-])=O is A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-cysteine sulfoxide residues. It is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria. It has the role of fungal metabolite . Its functional parent is L-histidine . Its functional parent is L-cysteine . It is a conjugate acid of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-) . It is also related to or classified as sulfoxide  .  It is also related to or classified as dipeptide  . It is also related to or classified as ammonium betaine .
The molecule C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)n1)C([O-])=O C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)n1)C([O-])=O is A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine and major species at pH 7.3. Its functional parent is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine . It is also related to or classified as peptide anion .
The molecule Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 is A member of the class of piperidines carrying two aryl substituents (4-chlorophenyl and 4-(pyrazol-4-yl)phenyl) at position 4. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as piperidines , pyrazoles , monochlorobenzenes .
The molecule COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 is A member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It is also related to or classified as phenols  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , benzoxazine , secondary amino compound .
The molecule C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)C([O-])=O C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)C([O-])=O is A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide and major species at pH 7.3. Its functional parent is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine . It is also related to or classified as peptide anion .
The molecule COc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 COc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 is an organic cation obtained by protonation of the secondary hydroxy group of olodaterol. It is a conjugate acid of olodaterol . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC CCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC is A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as butanoyl. Its functional parent is butyric acid . It is a conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  . It is also related to or classified as butyrate ester  .
The molecule O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O is A tetraisaccharide in which four alpha-D-galactopyranuronic acid units are joined via (1->4)-linkages. It has the role of bacterial xenobiotic metabolite .  It is also related to or classified as tetrasaccharide  . It is also related to or classified as carbohydrate acid .
The molecule Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 is am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as imidazoles , piperidines , aminopyrimidine .
The molecule Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1 is A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzoic acid with the amino group of cyclopropylamine. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , aromatic amine , pyrazolopyridine , secondary amino compound , cyclopropanes .
The molecule CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O is A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. It has the role of anti-inflammatory agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organobromine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , aromatic ether , pyridone .
The molecule CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1 CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1 is A member of the class of piperazines in which the two amino hydrogens of piperazine are replaced by 2-benzoylpropyl and 2-ethoxy-2-phenylethyl groups. It has the role of mucolytic . It is also related to or classified as ether  . It is also related to or classified as N-alkylpiperazine , aromatic ketone .
The molecule CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 is A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of apoptosis inducer .   It is also related to or classified as organofluorine compound  . It is also related to or classified as purines , aromatic amine , quinazolines , secondary amino compound .
The molecule CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2 CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2 is A semisynthetic glycopeptide used for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. It has the role of antimicrobial agent . It has the role of antibacterial drug . It is also related to or classified as glycopeptide  . It is also related to or classified as monosaccharide derivative , carbohydrate acid derivative , semisynthetic derivative .
The molecule OC[C@@H](O)CN1CCN(CC1)c1ccccc1 OC[C@@H](O)CN1CCN(CC1)c1ccccc1 is A member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug that is used as an alternative to opioids. It has the role of antitussive . It is also related to or classified as secondary alcohol  . It is also related to or classified as N-alkylpiperazine , N-arylpiperazine .
The molecule C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)n1)C([O-])=O C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)n1)C([O-])=O is A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-selenocysteine residues. It has the role of fungal metabolite . Its functional parent is L-histidine . It is a conjugate acid of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine(1-) . It is also related to or classified as sulfoxide  .  It is also related to or classified as dipeptide  . It is also related to or classified as ammonium betaine .
The molecule Cn1cnc(S)c1C[C@H]([NH3+])C([O-])=O Cn1cnc(S)c1C[C@H]([NH3+])C([O-])=O is an L-alpha-amino acid zwitterion formed from ovothiol A by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 is A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor . It is also related to or classified as C-glycosyl compound , aromatic ether , tetrahydrofuryl ether , monochlorobenzenes .
The molecule C1=C(C=CC(=C1F)C2=CN=C(C=C2)C=3N=NN(N3)C)N4C(O[C@H](C4)CO)=O C1=C(C=CC(=C1F)C2=CN=C(C=C2)C=3N=NN(N3)C)N4C(O[C@H](C4)CO)=O is A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. It has the role of antimicrobial agent . It has the role of protein synthesis inhibitor . It has the role of drug metabolite . It is also related to or classified as primary alcohol  .    It is also related to or classified as organofluorine compound  . It is also related to or classified as carbamate ester , pyridines , tetrazoles , oxazolidinone .
The molecule Cn1cnc(S)c1C[C@H](N)C(O)=O Cn1cnc(S)c1C[C@H](N)C(O)=O is A L-histidine derivative that is L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant . It has the role of radical scavenger . It has the role of marine metabolite . It is also related to or classified as aryl thiol  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule C[NH+](C)[C@@H](Cc1c(S)ncn1C)C([O-])=O C[NH+](C)[C@@H](Cc1c(S)ncn1C)C([O-])=O is an L-alpha-amino acid zwitterion formed from ovothiol C by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule C[NH2+][C@@H](Cc1c(S)ncn1C)C([O-])=O C[NH2+][C@@H](Cc1c(S)ncn1C)C([O-])=O is an L-alpha-amino acid zwitterion formed from ovothiol B by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule CN[C@@H](Cc1c(S)ncn1C)C(O)=O CN[C@@H](Cc1c(S)ncn1C)C(O)=O is A L-histidine derivative that is N-methyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant . It has the role of radical scavenger . It has the role of marine metabolite . It is also related to or classified as aryl thiol  . It is also related to or classified as L-histidine derivative .
The molecule CC(C)NC[C@@H](O)c1cc(O)cc(O)c1 CC(C)NC[C@@H](O)c1cc(O)cc(O)c1 is A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (S)-enantiomer of orciprenaline. It is also related to or classified as 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol  .
The molecule C[C@@H](N1CCC(=C)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F C[C@@H](N1CCC(=C)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F is A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes). It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as organofluorine compound  . It is also related to or classified as piperidines , tertiary amino compound , olefinic compound , conazole antifungal drug , triazole antifungal drug .
The molecule C=1(C2=CC=C(Cl)C=C2)NN=C(C1C3=CC=NC=N3)C4CCN(CC4)C(=O)CO C=1(C2=CC=C(Cl)C=C2)NN=C(C1C3=CC=NC=N3)C4CCN(CC4)C(=O)CO is A member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively. It is also related to or classified as primary alcohol  . It is also related to or classified as pyrazoles , pyrimidines , N-acylpiperidine , monochlorobenzenes .
The molecule [NH3+][C@@H](Cc1nc[nH]c1S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O [NH3+][C@@H](Cc1nc[nH]c1S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O is an L-alpha-amino acid zwitterion formed from S-(5-histidyl)cysteine sulfoxide by transfer of protons from the two carboxy to the two amino grousp; major species at pH 7.3. Its functional parent is L-cysteine zwitterion . Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule CC(C)NC[C@H](O)c1cc(O)cc(O)c1 CC(C)NC[C@H](O)c1cc(O)cc(O)c1 is A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (R)-enantiomer of orciprenaline. It is also related to or classified as 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O is A very long-chain omega-6 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 14, 17, 20, 23 and 26 (the 14Z,17Z,20Z,23Z,26Z-isomer). It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate . It is also related to or classified as omega-6 fatty acid , dotriacontapentaenoic acid .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC([O-])=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC([O-])=O is A dotriacontapentaenoate that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dotriacontapentaenoate  .
The molecule Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 is A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It is also related to or classified as hydrochloride .
The molecule CC(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1 CC(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1 is pterin acetylated on N-2 and carrying a formyl group at position 6. It is also related to or classified as pterins .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C is A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of arachidonic acid. It has the role of antibacterial agent . It has the role of mouse metabolite . Its functional parent is arachidonic acid . It is also related to or classified as cholesteryl icosatetraenoate  .
The molecule N[C@@H](Cc1nc[nH]c1S(=O)C[C@H](N)C(O)=O)C(O)=O N[C@@H](Cc1nc[nH]c1S(=O)C[C@H](N)C(O)=O)C(O)=O is A L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group. It has the role of marine metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-cysteine derivative , L-histidine derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C is A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as cholesteryl ester  .
The molecule CC1C[NH2+]CCN1S(=O)(=O)c1cccc2c[nH+]ccc12 CC1C[NH2+]CCN1S(=O)(=O)c1cccc2c[nH+]ccc12 is 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+). It is a conjugate acid of 1-(5-isoquinolinesulfonyl)-2-methylpiperazine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule Cc1cccc2c(C([O-])=O)c(O)ccc12 Cc1cccc2c(C([O-])=O)c(O)ccc12 is A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as naphthoate  .
The molecule Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)O[C@H]([C@@H]7O)n7cnc8c(N)ncnc78)O[C@H]([C@@H]6O)n6cnc7c(N)ncnc67)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4ccc(N)nc4=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)c(=O)n1 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)O[C@H]([C@@H]7O)n7cnc8c(N)ncnc78)O[C@H]([C@@H]6O)n6cnc7c(N)ncnc67)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4ccc(N)nc4=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)c(=O)n1 is an RNA fragment comprised of one guanosine, four adenosine and two cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-A-A-C-A-C. It is also related to or classified as RNA fragment .
The molecule Cc1cccc2c(C(O)=O)c(O)ccc12 Cc1cccc2c(C(O)=O)c(O)ccc12 is A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 5 by hydroxy and methyl groups respectively. It has the role of bacterial metabolite . It is a conjugate acid of 2-hydroxy-5-methyl-1-naphthoate . It is also related to or classified as naphthols , naphthoic acid .
The molecule CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O is A L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant . It has the role of radical scavenger . It has the role of marine metabolite . It is also related to or classified as aryl thiol  . It is also related to or classified as L-histidine derivative .
The molecule CC1=CC(=O)C2=C(O)C=CC=C2C1=O CC1=CC(=O)C2=C(O)C=CC=C2C1=O is A  hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anticoagulant . It has the role of immunological adjuvant .  It is also related to or classified as phenols  . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2 CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2 is an organic heterotetracyclic compound and 19-membered macrocyclic lactam that is maytansine in which one of the hydrogens of the terminal N-acetyl group is replaced by a sulfanylmethyl group. It has the role of antineoplastic agent . It has the role of tubulin modulator . Its functional parent is maytansine .  It is also related to or classified as thiol  . It is also related to or classified as epoxide  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as carbamate ester , organic heterotetracyclic compound , maytansinoid .
The molecule CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2OCCOc2c1 CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2OCCOc2c1 is an organic cation obtained by protonation of the tertiary amino function of eliglustat. It is a conjugate acid of eliglustat . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NP(=O)(OCCCN)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NP(=O)(OCCCN)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A member of the family of microcins comprising a heptapeptide covalently liinked to 3-aminopropyl-AMP via an acylphosphoramide linkage. A potent inhibitor of aspartyl-tRNA synthetase. It has the role of EC 6.1.1.12 (aspartate--tRNA ligase) inhibitor . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as microcin .