anonymous041/ChEBI-Augmented huggingface dataset:
The molecule NC(CCCC(O)=O)C(O)=O NC(CCCC(O)=O)C(O)=O is an alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine. It has the role of mammalian metabolite . It has the role of Caenorhabditis elegans metabolite . It is a conjugate acid of 2-aminoadipate(2-) . It is also related to or classified as dicarboxylic fatty acid , amino dicarboxylic acid , non-proteinogenic alpha-amino acid .
The molecule C1CC1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3CC4=CC(=CC=C4)F)CO)C5=CC=CC=C5 C1CC1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3CC4=CC(=CC=C4)F)CO)C5=CC=CC=C5 is 2-cyclopropyl-1-[(2R,3R)-1-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CN1C=C(N=C1)CC[NH3+] is conjugate acid of N(tele)-methylhistamine. It has a role as a human metabolite. It is a conjugate acid of a N(tele)-methylhistamine.
The molecule CCC(CC(O)=O)C(O)=O CCC(CC(O)=O)C(O)=O is an alpha,omega-dicarboxylic acid that is succinic acid substituted by an ethyl group at position 2. Its functional parent is succinic acid . It is a conjugate acid of 2-ethylsuccinate . It is also related to or classified as alpha,omega-dicarboxylic acid .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)N[C@@H](CCC(=O)O)C(=O)O is an N-(long-chain-fatty-acyl)-L-glutamic acid in which the acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. It has a role as a marine metabolite. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
The molecule CCSC1=NC(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)S1 CCSC1=NC(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)S1 is 2-(ethylthio)-4-[[5-(2-nitrophenyl)-2-furanyl]methylidene]-5-thiazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCS(=O)(=O)N1CC2(C1)[C@@H]([C@H](N2CC3CCCC3)CO)C4=CC=CC=C4 CCS(=O)(=O)N1CC2(C1)[C@@H]([C@H](N2CC3CCCC3)CO)C4=CC=CC=C4 is [(2S,3R)-1-(cyclopentylmethyl)-6-ethylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C is trianion of 2-trans,6-trans,10-trans-geranylgeranyl diphosphate. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 2-trans,6-trans,10-trans-geranylgeranyl diphosphate.
The molecule CC1CC2=CC=C(C)C(O)=C2C(=O)O1 CC1CC2=CC=C(C)C(O)=C2C(=O)O1 is an isochromane that is mellein bearing an additional methyl substituent at position 7. It has the role of insect attractant . It has the role of pheromone . It has the role of animal metabolite . It has the role of Aspergillus metabolite . Its functional parent is mellein . It is also related to or classified as isochromanes .
The molecule CCCCCC1C(O1)C/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-] is an icosanoid anion that is the conjugate base of 14,15-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an icosanoid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and an EET(1-). It is a conjugate base of a 14,15-EET.
The molecule C(C(O)=O)CCCCCCCCCC/C=C\CCC C(C(O)=O)CCCCCCCCCC/C=C\CCC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C1=CC=C(C=C1)C#CC2=CC=CC=C2 is an arylacetylene that is acetylene in which the hydrogens are replaced by phenyl groups. It has a role as a fluorochrome. It is an alkyne and an arylacetylene.
The molecule CCC(=O)N1[C@@H]([C@H](C12CN(C2)C(=O)C3=NC=CN=C3)C4=CC=CC=C4)CO CCC(=O)N1[C@@H]([C@H](C12CN(C2)C(=O)C3=NC=CN=C3)C4=CC=CC=C4)CO is 1-[(2S,3R)-2-(hydroxymethyl)-6-[oxo(2-pyrazinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-1-propanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](N)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](N)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C is Citrinadin D. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC=C CCCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC=C is LSM-33589. It is also related to or classified as organic heterotricyclic compound , organosulfur heterocyclic compound .
The molecule CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O is a 1,3-thiazolium cation that is the conjugate acid of thiamine(1+) diphosphate(1). It has a role as a fundamental metabolite and a cofactor. It is a conjugate acid of a thiamine(1+) diphosphate(1-) and a thiamine(1+) diphosphate(3-).
The molecule C(C(O)=O)CCCCC/C=C\CCCCCC C(C(O)=O)CCCCC/C=C\CCCCCC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)O)OC(=O)C)O)O is an L-threonine derivative in which L-threonine is linked via its nitrogen to C-6 of the non-reducing-end galactose residue of 3-O-acetyl-alpha-D-galacto-hexodialdo-1,5-pyranosyl-(1->3)-N-acetyl-acetamido-2-deoxy-beta-D-galactosamine; an important threonine-containing epitope of the Proteus penneri O-specific polysaccharide. It has a role as an epitope. It is an amino disaccharide and a L-threonine derivative.
The molecule O=C1C(=C([O-])C(O)C2OC12)C O=C1C(=C([O-])C(O)C2OC12)C is major species at pH 7.3.  It is also related to or classified as epoxide  . It is also related to or classified as arene epoxide .
The molecule COC1=CC=CC=C1NC(=O)N2CCCCN3[C@@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C#CC5CC5 COC1=CC=CC=C1NC(=O)N2CCCCN3[C@@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C#CC5CC5 is (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)NC(=O)C)O)CO)CO)NC(=O)C)O)O)O is an amino tetrasaccharide comprising an alpha-sialyl residue, two N-acetyl-beta-D-glucosaminyl residues and an N-acetyl-D-glucosamine residue linked in a (2->6), (1->4) and (1->4) sequence. It has a role as an epitope. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
The molecule C(C(O)=O)CCCCCCCC/C=C\CCC C(C(O)=O)CCCCCCCC/C=C\CCC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3 is a member of the class of piperidines that is the benzhydryl ether derivative of 1-methyl-4-hydroxypiperidine. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. It is also used as the teoclate salt (piprinhydrinate) as an ingredient in compound preparations for the symptomatic relief of coughs and the common cold. It has a role as a H1-receptor antagonist and a cholinergic antagonist. It is a member of piperidines and a tertiary amine.
The molecule O([C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)CO)[C@H]3[C@@H](O)[C@H](OC(O)[C@@H]3O)CO O([C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)CO)[C@H]3[C@@H](O)[C@H](OC(O)[C@@H]3O)CO is A trisaccharide consisting of D-galactose at the reducing end having an alpha-L-fucosyl-(1->2)-beta-D-galactosyl moiety attached at the 3-position. It is also related to or classified as trisaccharide .
The molecule C1CC(C1)C(=O)N2CC3(C2)[C@H]([C@H](N3C(=O)C4=CC=CC=N4)CO)C5=CC=CC=C5 C1CC(C1)C(=O)N2CC3(C2)[C@H]([C@H](N3C(=O)C4=CC=CC=N4)CO)C5=CC=CC=C5 is cyclobutyl-[(2S,3S)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H]C1(C=2C=NC=CC2)N(C)CCC1COC(=O)CCC(=O)NCC [H]C1(C=2C=NC=CC2)N(C)CCC1COC(=O)CCC(=O)NCC is A [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate that has (2S,3S)-configuration. It is also related to or classified as [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA. It is a 3-oxo-fatty acyl-CoA(4-), an 11,12-saturated fatty acyl-CoA(4-) and an ultra-long-chain 3-oxoacyl-CoA(4-). It is a conjugate base of a (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA.
The molecule C(C(O)=O)CCCCCCCCC/C=C\CC C(C(O)=O)CCCCCCCCC/C=C\CC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)O)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is an inositol phosphomannosylinositol phosphophytoceramide(2-) having an inositol 1-phosphoryl group linked at the 6-position to the mannose residue and a hexacosanoyl group amide-linked to a C18 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid. Major species at pH 7.3. It is an Ins-1-P-6-Man-1-2-Ins-1-P-Cer(d18:0/26:0) and an inositol phosphomannosylinositol-1-phosphodihydroceramide(2-).
The molecule O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is A glycosylgalactose consisting of alpha-D-mannopyranose and beta-D-galactopyranose residues joined in sequence by a (1->3) glycosidic bond. Its functional parent is beta-D-galactose . Its functional parent is alpha-D-mannose . It is also related to or classified as glycosylgalactose .
The molecule N[C@H](CCCC(O)=O)C(O)=O N[C@H](CCCC(O)=O)C(O)=O is an optically active form of 2-aminoadipic acid having D-configuration. It has the role of metabolite . It is also related to or classified as 2-aminoadipic acid  .
The molecule CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)C)N4C=CC=C4 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)C)N4C=CC=C4 is 2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule O=C(OCC1CCN(C)C1C=2C=NC=CC2)CCC(=O)NCC O=C(OCC1CCN(C)C1C=2C=NC=CC2)CCC(=O)NCC is an N-alkylpyrrolidine that is 1-methylpyrrolidine substituted by pyridin-3-yl and {[4-(ethylamino)-4-oxobutanoyl]oxy}methyl groups at positions 2 and 3, respectively. It is also related to or classified as secondary carboxamide  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as pyridines , N-alkylpyrrolidine .
The molecule C=C(C(=O)O)OC1=CC=CC(=C1)C(=O)O is a dicarboxylic acid that is benzoic acid in which the hydrogen at position 3 is replaced by a (1-carboxyvinyl)oxy group. It is a member of benzoic acids, a dicarboxylic acid, an aromatic ether and an enol ether. It derives from an acrylic acid. It is a conjugate acid of a 3-[(1-carboxylatovinyl)oxy]benzoate(2-).
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO)[NH3+])O is a cationic sphingoid obtained by protonation of the amino group of sphinganine. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a sphinganine.
The molecule C(C(O)=O)CCCCCCCCC/C=C\C C(C(O)=O)CCCCCCCCC/C=C\C is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F is a morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. It has a role as an antidepressant, an antiemetic, a peripheral nervous system drug, a neurokinin-1 receptor antagonist and a substance P receptor antagonist. It is a member of triazoles, a member of morpholines, a cyclic acetal and a member of (trifluoromethyl)benzenes.
The molecule [18F] [18F] is the radioactive isotope of fluorine with relative atomic mass 18.000938. The longest-lived fluorine radionuclide with half-life of 109.77 min. It is also related to or classified as fluorine atom  .
The molecule O([C@@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO O([C@@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO is an amino disaccharide consisting of a 2-acetamido-2-deoxy-beta-D-galactopyranose residue and a 2-acetamido-2-deoxy-D-galactopyranose residue joined in sequence by a (1->4) glycosidic bond. Its functional parent is N-acetyl-D-galactosamine . Its functional parent is N-acetyl-beta-D-galactosamine . It is also related to or classified as acetamides , amino disaccharide , glycosylgalactose derivative .
The molecule C[C@@H](C(=O)O)NC is a methyl-L-alanine in which one of the the amino hydrogen of L-alanine is replaced by a methyl group. It is a tautomer of a N-methyl-L-alanine zwitterion.
The molecule CC(C)(/C=N/O)SC is the oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb. It is an aliphatic aldoxime and a methyl sulfide.
The molecule CCCCCC/C=C\CCCCC(O)=O CCCCCC/C=C\CCCCC(O)=O is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCC/C=C/C(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,6R)-6-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (2E,7R)-7-hydroxyoct-2-enoic acid. It is a conjugate acid of an ascr#13(1-).
The molecule COc1c(C)c(O)cc2C(=O)NCc12 COc1c(C)c(O)cc2C(=O)NCc12 is A member of the class of isoindoles that is 6-hydroxy-4-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one which is substituted at position 4, 5, and 6 by methoxy, methyl, and hydroxy groups, respectively. A secondary metabolite found in Aspergillus silvativus, Aspergillus nidulans and Alternaria cichorii, it is poisonous to Russian knapweed (Acroptilon repens). It has the role of mycotoxin .  It is also related to or classified as phenols  . It is also related to or classified as isoindoles .
The molecule C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@@H]1CN(C)C(=O)CN(C)C)[C@@H](C)CO C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@@H]1CN(C)C(=O)CN(C)C)[C@@H](C)CO is 2-(dimethylamino)-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule NC(CCCC([O-])=O)C([O-])=O NC(CCCC([O-])=O)C([O-])=O is A dicarboxylic acid dianion that is the conjugate base of 2-aminoadipic acid. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as alpha-amino-acid anion .
The molecule CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC is a carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. It has a role as a plant metabolite, a hypoglycemic agent, an anti-allergic agent, an antioxidant, an angiogenesis inhibitor, an anti-inflammatory agent and a capsaicin receptor agonist. It is a carboxylic ester, a monomethoxybenzene and a member of phenols. It derives from a vanillyl alcohol.
The molecule CC(C)CNC(=O)/C=C/CCCCC1=CC2=C(C=C1)OCO2 is an enamide that is (2E)-N-isobutylhept-2-enamide which is substituted at position 7 by a 3,4-methylenedioxyphenyl group. A natural product found in Piper sarmentosum. It has a role as a metabolite, an apoptosis inducer and a plant metabolite. It is an alkaloid, a member of benzodioxoles, an enamide and a secondary carboxamide. It derives from a 2-methylpropanamine.
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)([O-])[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)([O-])[O-])O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O[C@@]9(C[C@H]([C@H]([C@H](O9)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate. It is a conjugate base of a galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate.
The molecule C(C(O)=O)CC/C=C\C/C=C\CCCCCCCCCCC C(C(O)=O)CC/C=C\C/C=C\CCCCCCCCCCC is an unsaturated fatty acid with 20 carbons and two double bonds (in the n-12 and n-15 position) detected in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 is a triazolo[4,3-a][1,4]benzodiazepine having a dimethylaminomethyl group at the 1-position, a phenyl group at the 6-position and a chloro substituent at the 8-position. It has a role as a sedative, an anxiolytic drug, an anticonvulsant and an antidepressant.
The molecule ClC([C@H](O)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1)(C)C ClC([C@H](O)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1)(C)C is Variecolorin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])[NH3+] is zwitterionic form of L-serine phosphoethanolamine having anionic phosphate and carboxy groups and both amino groups protonated; major species at pH 7.3. It is a tautomer of a L-serine phosphoethanolamine.
The molecule C(C(O)=O)CCCCC/C=C\CCCCC/C=C\CC C(C(O)=O)CCCCC/C=C\CCCCC/C=C\CC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C1N2CN3CN1CN(C2)C3 is a polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. It has a role as an antibacterial drug. It is a polycyclic cage, a polyazaalkane and a tetramine.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosyl glycoside consisting of two alpha-D-galactopyranose residues joined by a (1->1) glycosidic bond.  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as glycosyl glycoside .
The molecule CC1=NC=C(N=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl CC1=NC=C(N=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl is N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyrazines .
The molecule [H]C1(C=2C=NC=CC2)N(C)CCC1COC(=O)CCC(=O)NCC [H]C1(C=2C=NC=CC2)N(C)CCC1COC(=O)CCC(=O)NCC is A [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate that has (2R,3R)-configuration. It is also related to or classified as [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate  .
The molecule O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)CC)CC4=CC=CC=C4 O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)CC)CC4=CC=CC=C4 is Clavatustide A. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O is a steroid glucosiduronic acid that is 4-hydroxyestrone having a single beta-D-glucuronic acid residue attached at position 3. It is a beta-D-glucosiduronic acid, a 17-oxo steroid, a steroid glucosiduronic acid and a 4-hydroxy steroid. It derives from a 4-hydroxyestrone. It is a conjugate acid of a 4-hydroxyestrone 3-O-(beta-D-glucuronide)(1-).
The molecule C(C(O)=O)CCC/C=C\CCCCC/C=C\CC C(C(O)=O)CCC/C=C\CCCCC/C=C\CC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C(C[C@@H](C(=O)[O-])N)CC(=O)[O-] is an oxo dicarboxylate. It derives from an adipate(2-). It is a conjugate base of a L-2-aminoadipate(1-) and a L-2-aminoadipic acid.
The molecule CCCC(=O)CC([O-])=O CCCC(=O)CC([O-])=O is 3-oxohexanoate. Its functional parent is hexanoate . It is also related to or classified as carboxylic acid anion  .
The molecule CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=S)N2CC(=O)OC)C)OC CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=S)N2CC(=O)OC)C)OC is 2-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CC\C=C\CCCCCCCCCC(O)=O CC\C=C\CCCCCCCCCC(O)=O is the trans-isomer of tetradec-11-enoic acid. It is also related to or classified as 11-tetradecenoic acid  .
The molecule COC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)O is a pentahydroxyflavanone that is (+)-taxifolin substituted by a methoxy group at position 6. It has a role as a plant metabolite. It is a member of dihydroflavonols, a member of 3'-hydroxyflavanones, a pentahydroxyflavanone, a monomethoxyflavanone, a secondary alpha-hydroxy ketone and a member of 4'-hydroxyflavanones. It derives from a (+)-taxifolin.
The molecule C(C(O)=O)CCCCCCC/C=C\C/C=C\CCCCCC C(C(O)=O)CCCCCCC/C=C\C/C=C\CCCCCC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule CC(C)[C@H]1C(=O)NC(=C)C(=O)N1 is a 2,5-diketopiperazine where the substituents are methylidene and (S)-isopropyl at positions 3 and 6 respectively. It has a role as a metabolite.