mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCc1cnccn1</smiles> is A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by an ethyl group. Found particularly in cereals and cereal products, it is present in baked or fried potato, bread, roasted peanuts, and cooked shrimp, as well as cocoa, coffee, and tea. It has a musty, nutty, buttery, peanut odor and a chocolate-peanut taste. It has the role of flavouring agent. It has the role of fragrance. It has the role of Maillard reaction product. It is also related to or classified as pyrazines.
The molecule <smiles>[H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]13CC=C2C</smiles> is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. It has the role of metabolite. It has the role of antineoplastic agent. It is also related to or classified as epoxide . It is also related to or classified as gamma-lactone . It is also related to or classified as sesquiterpene lactone, organic heterotetracyclic compound.
The molecule <smiles>[H]C(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A beta-D-glucoside resultng from the oxidation of the benzylic hydroxy group of salicin to the corresponding aldehyde. It has the role of metabolite. Its functional parent is salicylaldehyde. Its functional parent is salicin.  It is also related to or classified as beta-D-glucoside . It is also related to or classified as benzaldehydes, monosaccharide derivative.
The molecule <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> is an arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl groups at positions 1 and 2, and in which the and in which the carbohydrate moiety is a beta-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol . It is also related to or classified as beta-D-galactoside . It is also related to or classified as diester . It is also related to or classified as arabidopside.
The molecule <smiles>[H][C@@]12C\C=C3/C[C@@](C)(CC[C@H]3OO)[C@H](O)[C@@]1([H])OC(=O)C2=C</smiles> is an organic heterotricyclic compound that is a hydroperoxysesquiterpene lactone with a modified germacrane skeleton, isolated from the aerial parts of Tanacetum vulgare. It has the role of metabolite.  It is also related to or classified as secondary alcohol . It is also related to or classified as peroxol . It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterotricyclic compound, sesquiterpene lactone.
The molecule <smiles>[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)OC)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A34. Its functional parent is gibberellin A1 methyl ester. It is also related to or classified as lactone . It is also related to or classified as methyl ester . It is also related to or classified as gibberellin ester.
The molecule <smiles>[H][C@]12CC(=C)[C@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2</smiles> is A germacrane sesquiterpenoid found Tanacetum vulgare that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14 and in which the hydroxy group at position 1 has epimerised from alpha- to beta-. It has the role of metabolite. It is also related to or classified as diol .  It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterobicyclic compound, germacrane sesquiterpenoid.
The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A1. Its functional parent is gibberellin A1. It is also related to or classified as lactone . It is also related to or classified as methyl ester . 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 organic heteropentacyclic compound, gibberellin ester.
The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A3. Its functional parent is gibberellin A3. It is also related to or classified as lactone . It is also related to or classified as methyl ester . 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 organic heteropentacyclic compound, gibberellin ester.
The molecule <smiles>COC(=O)c1ccccc1N</smiles> is A benzoate ester that is the methyl ester of anthranilic acid. It has the role of metabolite. It has the role of flavouring agent. Its functional parent is anthranilic acid. It is also related to or classified as benzoate ester.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(C2=CC=C(C(=C2)CC=3SC(=CC3)C4=CC=C(C=C4)F)C)[H])O)O)O</smiles> is A C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. 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 organofluorine compound . It is also related to or classified as C-glycosyl compound, thiophenes.
The molecule <smiles>OCCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1</smiles> is an organochlorine compound that is a selective estrogen receptor modulator; used for treatment of dyspareunia. It has the role of antineoplastic agent. It has the role of estrogen receptor modulator. It has the role of anti-inflammatory agent. It is also related to or classified as primary alcohol .  It is also related to or classified as organochlorine compound . It is also related to or classified as aromatic ether.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is the N-hexacosanoyl derivative of isoglobotriaosyl ceramide. It has the role of antigen. It is also related to or classified as alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer .
The molecule <smiles>[Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12</smiles> is an organic sodium salt having 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate as the counterion. It has the role of antineoplastic agent. It has the role of fibroblast growth factor receptor antagonist. It is also related to or classified as organic sodium salt.
The molecule <smiles>CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12</smiles> is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. It has the role of anti-inflammatory agent. It has the role of adenosine A2A receptor agonist. Its functional parent is adenosine. It is also related to or classified as adenosines, monocarboxylic acid, dicarboxylic acid monoamide.
The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A20. Its functional parent is gibberellin A20. It is also related to or classified as lactone . It is also related to or classified as methyl ester . It is also related to or classified as tertiary alcohol . It is also related to or classified as organic heteropentacyclic compound, gibberellin ester.
The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A9. Its functional parent is gibberellin A9. It is also related to or classified as lactone . It is also related to or classified as methyl ester . It is also related to or classified as gibberellin ester.
The molecule <smiles>CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12</smiles> is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group. Its functional parent is adenosine.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organoiodine compound . It is also related to or classified as adenosines.
The molecule <smiles>CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12</smiles> is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. It has the role of adenosine A3 receptor agonist. Its functional parent is adenosine.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organoiodine compound . It is also related to or classified as adenosines.
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide consisting of L-leucyl, L-glutaminyl and L-proline residues joined in sequence. It has the role of metabolite. It is also related to or classified as tripeptide .
The molecule <smiles>CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1</smiles> is an oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group. It has the role of EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. It has the role of adenosine A1 receptor antagonist. Its functional parent is 7H-xanthine. It is also related to or classified as oxopurine.
The molecule <smiles>COC1(COc2ccccc2O1)C1=NCCN1</smiles> is A benzodioxine that is idazoxan substituted at position 2 by a methoxy group. It has the role of alpha-adrenergic antagonist. Its functional parent is idazoxan. It is also related to or classified as imidazolines, cyclic ketal, benzodioxine.
The molecule <smiles>O.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1</smiles> is A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. 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 hydrate.
The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A4. Its functional parent is gibberellin A4. It is also related to or classified as lactone . It is also related to or classified as methyl ester . It is also related to or classified as gibberellin ester.
The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-valine, and L-tyrosine units joined in sequence by peptide linkages. Its functional parent is L-valine. Its functional parent is L-aspartic acid. Its functional parent is L-phenylalanine. Its functional parent is L-tyrosine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12</smiles> is A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has the role of beta-adrenergic antagonist.   It is also related to or classified as secondary alcohol . It is also related to or classified as benzimidazoles, aromatic ether, secondary amino compound.
The molecule <smiles>CNc1c(C)n(C)n(-c2ccccc2)c1=O</smiles> is A member of the class of pyrazoles that is antipyrine substituted at C-4 by a methylamino group. It is a metabolite of aminopyrine and of metamizole. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of opioid analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of drug metabolite. It has the role of peripheral nervous system drug. Its functional parent is antipyrine. It is also related to or classified as pyrazoles, secondary amino compound.
The molecule <smiles>N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A ten-membered oligopeptide comprising D-arginyl, L-arginyl, L-prolyl, (4R)-4-hydroxy-L-prolyl, glycyl, L-phenylalanyl, L-seryl, D-phenylalanyl, L-phenylalanyl and L-arginine residues joined in sequence. It has the role of bradykinin receptor antagonist. Its functional parent is bradykinin. It is also related to or classified as oligopeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-aspartic acid, glycine, and L-proline units joined in sequence. Its functional parent is glycine. Its functional parent is L-aspartic acid. Its functional parent is L-proline. It is also related to or classified as tripeptide .
The molecule <smiles>Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23</smiles> is A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group. It has the role of analgesic. It has the role of neuroprotective agent. It has the role of apoptosis inhibitor. It is also related to or classified as organic heterotricyclic compound, morpholines, naphthyl ketone, synthetic cannabinoid.
The molecule <smiles>CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12</smiles> is an indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). It has the role of beta-adrenergic antagonist.  It is also related to or classified as secondary alcohol . It is also related to or classified as aromatic ether, indanes, secondary amino compound.
The molecule <smiles>[H][C@]1(CC[C@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCCC(C)C</smiles> is A triterpene that is (13alpha,14beta,17alpha,20S)-lanostane. It is also related to or classified as triterpene .
The molecule <smiles>CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC([O-])=O)c(CC([O-])=O)c1n8[Co--]357)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O</smiles> is A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt(II)-factor III; major species at pH 7.3. It is also related to or classified as precorrin carboxylic acid anion.
The molecule <smiles>CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine. It has the role of antineoplastic agent.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as isoquinolines, aromatic amide, monochlorobenzenes.
The molecule <smiles>O=NN1CCSC1</smiles> is N-nitroso-1,3-thiazolidine.  It is also related to or classified as nitrosamine . It is also related to or classified as thiazolidines.
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprising five deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-leucine, L-threonine, and L-proline units joined in sequence. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-threonine. Its functional parent is L-alanine. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12</smiles> is an aminobenzoate that is the conjugate base of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as aminobenzoate.
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O</smiles> is A tripeptide composed of three L-alanine units joined by peptide linkages. It has the role of metabolite. Its functional parent is L-alanine. It is also related to or classified as tripeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of two L-alanine units linked to two L-aspartic acid units by peptide linkages. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-aspartic acid. It is also related to or classified as tetrapeptide .
The molecule <smiles>CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1</smiles> is A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8. It has the role of dopaminergic antagonist. It is also related to or classified as benzazepine . It is also related to or classified as organochlorine compound . It is also related to or classified as tertiary amino compound.
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-aspartic acid. It is also related to or classified as tripeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O</smiles> is A tripeptide composed of two L-alanine units and a glycine joined by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-alanine. It is also related to or classified as tripeptide .
The molecule <smiles>COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12</smiles> is an aminobenzoic acid that is anthranilic acid substituted at position 5 by a (1-methoxy-2-methylindolizin-3-yl)carbonyl group. It has the role of antineoplastic agent. It has the role of fibroblast growth factor receptor antagonist. Its functional parent is anthranilic acid. It is a conjugate acid of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate. It is also related to or classified as aminobenzoic acid, aromatic ether, indolizines, aromatic ketone.
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of two L-alanyl units and an L-proline joined by peptide linkages. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-proline. It is also related to or classified as tripeptide .
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprising ten deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide .
The molecule <smiles>Nc1ccc(cc1)C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N\C#N</smiles> is A benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine. It has the role of H2-receptor antagonist. It is also related to or classified as nitrile . It is also related to or classified as benzamides, guanidines, piperidines, aromatic ether, substituted aniline.
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A dipeptide composed of L-alanine and L-asparagine units joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-asparagine. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-serine. It is also related to or classified as tripeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of two L-alanine units joined to two L-proline units by peptide linkages. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-alanyl, L-asparagyl, L-aspartyl, and L-proline residues joined in sequence. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-aspartic acid. Its functional parent is L-asparagine. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprising fifteen deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-alanyl, L-asparagyl, L-glutamyl, and L-serine residues joined in sequence. It has the role of metabolite. Its functional parent is L-alanine. Its functional parent is L-serine. Its functional parent is L-asparagine. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .