anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H+].[H+].[H+].[H+].CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2.C(=C\\C(=O)[O-])\\C(=O)[O-].C(=C\\C(=O)[O-])\\C(=O)[O-] is a maleate salt obtained by reaction of N-methylquipazine with two equivalents of maleic acid. A 5-HT3 agonist. Has almost the same affinity for 5-HT3 sites as quipazine but unlike the latter, does not bind to 5-HT1B sites. It has a role as a prodrug and a serotonergic agonist. It contains a N-methylquipazine.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)CC5CC5 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)CC5CC5 is 1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C[C@@H]2[C@H]([C@@H]([C@H]([C@H]1O2)NC(C)=O)O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C([O-])=O)=O)C(=O)[O-])=O)C)=O)C)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)[H] O1C[C@@H]2[C@H]([C@@H]([C@H]([C@H]1O2)NC(C)=O)O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C([O-])=O)=O)C(=O)[O-])=O)C)=O)C)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)[H] is A carbohydrate acid derivative anion arising from deprotonation of the carboxy groups and protonation of the amino group of GlcNAc-1,6-anhMurNAc-tripeptide; major species at pH 7.3. It is also related to or classified as peptide anion , carbohydrate acid derivative anion .
The molecule C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N)F is a 5-fluorocytidine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.
The molecule [Zn-] [Zn-] is zincide.  It is also related to or classified as monoatomic monoanion  . It is also related to or classified as zinc ion .
The molecule CC(C)Nc1nc(O)nc(O)n1 CC(C)Nc1nc(O)nc(O)n1 is A dihydroxy-1,3,5-triazine consisting of ammelide bearing an N-isopropyl substituent. Its functional parent is ammelide . It is also related to or classified as monoamino-1,3,5-triazine , dihydroxy-1,3,5-triazine .
The molecule Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 is the (2S)-enantiomer of dihydrotricetin. It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as dihydrotricetin  .
The molecule O1C[C@@H]2[C@H]([C@@H]([C@H]([C@H]1O2)NC(C)=O)O[C@@H](C([O-])=O)C)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)[H] O1C[C@@H]2[C@H]([C@@H]([C@H]([C@H]1O2)NC(C)=O)O[C@@H](C([O-])=O)C)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)[H] is A carbohydrate acid derivative anion arising  from deprotonation of the carboxy group of GlcNAc-1,6-anhMurNAc; major species at pH 7.3. It is also related to or classified as disaccharide  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@H]([C@H](OC([C@@H]3O)O)CO)O)CO)O)O)O)O)O)O is a trisaccharide consisting of two beta-D-glucopyranose residues and a D-galactopyranose residue joined in sequence by (1->2) and (1->3) glycosidic bonds.
The molecule [Zn+] [Zn+] is zinc(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as zinc cation .
The molecule CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)[O-])C(=O)N)[NH2+]C)O)O is a zwtterion obtained by transfer of a proton from the 2-hydroxy to the secondary amino group of desmethylanhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a desmethylanhydrotetracycline.
The molecule O1C[C@@H]2[C@H]([C@@H]([C@H]([C@H]1O2)NC(C)=O)O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(N[C@@H](C([O-])=O)C)=O)=O)C(=O)[O-])=O)C)=O)C)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)[H] O1C[C@@H]2[C@H]([C@@H]([C@H]([C@H]1O2)NC(C)=O)O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(N[C@@H](C([O-])=O)C)=O)=O)C(=O)[O-])=O)C)=O)C)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)[H] is A glycopeptide anion that is the conjugate base of tat-BP, arising from deprotonation of the three carboxy groups and protonation of the amino group; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] is a dipeptide consisting of L-tyrosine substituted on nitrogen and oxygen by 2,4-dinitrophenyl groups and connected to L-glutamine via a peptide bond. It has a role as an epitope. It contains a 2,4-dinitrophenyl group.
The molecule NCCCNC\C=C/CN NCCCNC\C=C/CN is an N-(3-aminopropyl)but-2-ene-1,4-diamine having a cis-double bond. It is also related to or classified as N-(3-aminopropyl)but-2-ene-1,4-diamine  .
The molecule CCCCCCCCCCCCC\C=C\C([O-])=O CCCCCCCCCCCCC\C=C\C([O-])=O is A straight-chain unsaturated fatty acid anion that is the conjugate base of (E)-hexadec-2-enoic acid, obtained by deprotonation of the carboxy group.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as unsaturated fatty acid anion , straight-chain fatty acid anion .
The molecule COc1cc(O)c(C(C=O)C(O)CO)c2oc(=O)c3C(=O)CCc3c12 COc1cc(O)c(C(C=O)C(O)CO)c2oc(=O)c3C(=O)CCc3c12 is alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde. It is a conjugate acid of aflatoxin B1 C(6a)-monoaldehyde(1-) . It is also related to or classified as coumarins .
The molecule [NH3+][C@@H](C([O-])=O)CCC(N[C@@H](CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O)=O [NH3+][C@@H](C([O-])=O)CCC(N[C@@H](CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O)=O is A peptide anion that is the conjugate base of gamma-D-glutamyl-meso-diaminopimelic acid, arising from deprotonation of the three carboxy groups and protonation of both amino groups; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule CCCCCCC(=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 medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptanoic acid. It derives from a coenzyme A and a heptanoic acid. It is a conjugate acid of a heptanoyl-CoA(4-).
The molecule C[C@@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C C[C@@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C is LSM-37601. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CC=C=C=C1 C1CC=C=C=C1 is A cycloalkatriene that is cyclohexane carrying three double bonds at positions 1, 2 and 3. It is a highly strained isomer of benzene. It is also related to or classified as cycloalkatriene  .
The molecule C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N is a member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups. It is a member of triazoles, a nitrile and a member of monochlorobenzenes.
The molecule [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)C1CO1)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC2=O [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)C1CO1)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC2=O is A homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of phytotoxin . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor .  It is also related to or classified as tetrapeptide  . It is also related to or classified as homodetic cyclic peptide .
The molecule CCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sphingomyelin d18:1 in which the amino group of sphingosine is substituted by a pentadecanoyl group. It has a role as a mouse metabolite. It is a sphingomyelin d18:1 and a sphingomyelin 33:1. It derives from a pentadecanoic acid.
The molecule [Ce+3] [Ce+3] is cerium(3+). It has the role of cofactor .  It is also related to or classified as monoatomic trication  . It is also related to or classified as cerium cation , elemental cerium .
The molecule CCN(C[C@H]1[C@@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)NC3CCCC3 CCN(C[C@H]1[C@@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)NC3CCCC3 is 1-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-cyclopentyl-1-ethylurea. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A multi-methyl-branched fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyphytanoyl-CoA . It has the role of human metabolite . It is also related to or classified as multi-methyl-branched fatty acyl-CoA(4-) .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O is a glycosyloxyflavone that consists of kaempferol attached to a alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl] moiety at position 3 via a glycosdic linkage. Isolated from the leaves of Ginkgo biloba, it exhibits antioxidant activity. It has a role as an antioxidant and a plant metabolite. It is a disaccharide derivative, a cinnamate ester and a glycosyloxyflavone. It derives from a trans-4-coumaric acid.
The molecule [Ce+4] [Ce+4] is cerium(4+).  It is also related to or classified as monoatomic tetracation  . It is also related to or classified as cerium cation , elemental cerium .
The molecule [Cl-].ClC1=CC=C(C=C1)C(N1C=C[N+](CC(OCC2=C(Cl)C=C(Cl)C=C2)C2=CC=C(Cl)C=C2Cl)=C1)C1=CC=C(Cl)C=C1 [Cl-].ClC1=CC=C(C=C1)C(N1C=C[N+](CC(OCC2=C(Cl)C=C(Cl)C=C2)C2=CC=C(Cl)C=C2Cl)=C1)C1=CC=C(Cl)C=C1 is the organic choride salt of calmidazolium. It has the role of calmodulin antagonist . It has the role of apoptosis inducer . It is also related to or classified as organic chloride salt .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(C(C(=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](C(CCCCCCCCCCCCCC)O)O)O)O is an inositol phosphomannosylinositol phosphophytoceramide(2-) having an inositol 1-phosphoryl group attached to the mannose residue (at the 6-position) and a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the C18 sphingoid base, and hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid. Major species at pH 7.3. It is a conjugate base of an Ins-1-P-6-Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0).
The molecule [H]C(CCCCCCCCCCC)=C([H])C(O)=O [H]C(CCCCCCCCCCC)=C([H])C(O)=O is A tetradecenoic acid having its double bond in the 2-position. It is also related to or classified as tetradecenoic acid  . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid .
The molecule O1C(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C(O)C1 O1C(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C(O)C1 is Hexahydroxy-flavone (myricetin) pentoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@H](CC(=C)C(O)=O)C(O)=O N[C@H](CC(=C)C(O)=O)C(O)=O is 4-methylene-D-glutamic acid. It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as 4-methyleneglutamic acid  .
The molecule C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O is an azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. It has a role as a non-steroidal anti-inflammatory drug, an antiinfective agent, a gastrointestinal drug, an EC 2.5.1.18 (glutathione transferase) inhibitor and a drug allergen. It is a sulfonamide, a member of pyridines and a member of azobenzenes. It derives from a sulfanilamide.
The molecule C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO is N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(CC)=C([H])CCCCCCCCCC(O)=O [H]C(CC)=C([H])CCCCCCCCCC(O)=O is A tetradecenoic acid having its double bond in the 11-position. It is also related to or classified as tetradecenoic acid  .
The molecule O=C/C=C/[C@@H](COP([O-])(=O)[O-])O O=C/C=C/[C@@H](COP([O-])(=O)[O-])O is major species at pH 7.3. It is also related to or classified as organic anionic group .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. It has a role as a mouse metabolite. It derives from an oleic acid and a linoleic acid. It is a tautomer of a 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule OCC1OC2SC(=NCC)NC2C(O)C1O OCC1OC2SC(=NCC)NC2C(O)C1O is Thiamet G. It has the role of EC 3.2.1.* (glycosidase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C is a 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects. It has a role as an anabolic agent, an androgen and an anti-anaemic agent. It is a 17beta-hydroxy steroid, an enone, a tertiary alcohol, an enol, an anabolic androgenic steroid and a 3-oxo-5alpha-steroid.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 is N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N is a sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy. It has a role as an antimalarial, a leprostatic drug, an antiinfective agent and an anti-inflammatory drug. It is a sulfone and a substituted aniline. It derives from a diphenyl sulfone.
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC(=CC=C5)F C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC(=CC=C5)F is (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [Sr+] [Sr+] is strontium(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as strontium cation .
The molecule CC1C(=O)NCC(=O)N1 is a member of the class of 2,5-diketopiperazines that is piperazine substituted by oxo groups at positions 2 and 5, and by a methyl group at position 3. It has a role as a Penicillium metabolite.
The molecule OC(=O)CC1CCCCC1 OC(=O)CC1CCCCC1 is A monocarboxylic acid consisting of cyclohexane carrying a carboxymethyl substituent. Its functional parent is acetic acid . It is also related to or classified as monocarboxylic acid .
The molecule C1CC(C1)C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br C1CC(C1)C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br is (6R,7R,8R)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(N(O)CCCCC[NH3+])(=O)CCC(NCCCCCN(C(=O)CCC(NCCCCCN(C(=O)C)O)=O)O)=O C(N(O)CCCCC[NH3+])(=O)CCC(NCCCCCN(C(=O)CCC(NCCCCCN(C(=O)C)O)=O)O)=O is A primary aliphatic ammonium ion that is the conjugate acid of desferrioxamine B; major species at pH 7.3. It is a conjugate acid of desferrioxamine B . It is also related to or classified as primary aliphatic ammonium ion  .
The molecule C1CC(N=C1)C(=O)O is a 1-pyrrolinecarboxylic acid that is 1-pyrroline in which one of the hydrogens at position 5 is replaced by a carboxy group. It is a conjugate acid of a 1-pyrroline-5-carboxylate.
The molecule CN1CCc2ccccc2C1Cc1ccccc1 CN1CCc2ccccc2C1Cc1ccccc1 is A benzyltetrahydroisoquinoline having the benzyl group at the 1-position and an N-methyl substituent. It is also related to or classified as benzyltetrahydroisoquinoline .
The molecule C1=2C(=CNC1=CC=CC2)C\C(\[S-])=N\OS([O-])(=O)=O C1=2C(=CNC1=CC=CC2)C\C(\[S-])=N\OS([O-])(=O)=O is major species at pH 7.3. It is also related to or classified as (Z)-phenyl-N-(sulfonatooxy)methanimidothioate  . It is also related to or classified as indoles .
The molecule Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C is A compound showing yellow-green fluorescence, formed by a photolysis of riboflavin in alkaline solution. It is also related to or classified as flavin  .
The molecule [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O is a myo-inositol monophosphate. It has a role as a mouse metabolite. It derives from a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 3-phosphate(2-).
The molecule Oc1cccc(c1)C1CC(=O)c2ccccc2O1 Oc1cccc(c1)C1CC(=O)c2ccccc2O1 is A monohydroxyflavanone in which the hydroxy group is located at position 3'. It has the role of metabolite . It is also related to or classified as monohydroxyflavanone , 3'-hydroxyflavanones .
The molecule N[C@@H](CC1=CC=C(OP(O)(O)=O)C(O)=C1)C(O)=O N[C@@H](CC1=CC=C(OP(O)(O)=O)C(O)=C1)C(O)=O is an L-tyrosine derivative that is L-dopa in which the hydroxy group at position 4' is replaced by a phosphonooxy group. It is a water-soluble prodrug of levodopa which is used for the treatment of Parkinson's disease. It has the role of antiparkinson drug . It has the role of prodrug . Its functional parent is L-dopa . It is also related to or classified as O-phosphoamino acid , L-tyrosine derivative , non-proteinogenic L-alpha-amino acid .
The molecule CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A saturated acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of heptanoyl-CoA; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O is a monohydroxyflavone that is the 3-hydroxy derivative of flavone. It is a monohydroxyflavone and a member of flavonols. It is a conjugate acid of a flavonol(1-).
The molecule [NH3+][C@@H](CCCCNN[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O [NH3+][C@@H](CCCCNN[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O is major microspecies at pH 7.3. It is also related to or classified as hydrazines  . It is also related to or classified as amino-acid derivative .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC[C@H](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)O is an (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA; major species at pH 7.3. It is a (R)-3-hydroxyacyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA.
The molecule CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylcholine 40:4 in which the two acyl substituents at positions 1 and 2 are specified as icosanoyl and arachidonoyl respectively. It is a phosphatidylcholine 40:4 and a 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine. It derives from an icosanoic acid.
The molecule CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)CO)C=C2O CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)CO)C=C2O is an acridone derivative with formula C19H19NO5. It is isolated from the roots of Ruta graveolens and Thamnosma rhodesica. It has the role of antileishmanial agent . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as alkaloid  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as triol , cyclic ether , organic heterotetracyclic compound , acridone derivatives .
The molecule CCCCCC/C=C\\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 12-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 12-[(9Z)-hexadecenoyloxy]octadecanoic acid.
The molecule COS(=O)(=O)OC COS(=O)(=O)OC is the dimethyl ester of sulfuric acid. It has the role of alkylating agent . It has the role of immunosuppressive agent . It is also related to or classified as alkyl sulfate .
The molecule [H]C(=O)\C=C/CCCCC [H]C(=O)\C=C/CCCCC is the (Z)-isomer of oct-2-enal. It has the role of plant metabolite . It is also related to or classified as oct-2-enal  .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCN)NC(=O)[C@@H]2[C@H](O2)C(=O)O is a dicarboxylic acid monoamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-phenylalaninamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease. It has a role as an antimicrobial agent, a cysteine protease inhibitor and a Penicillium metabolite. It is a monocarboxylic acid, a primary amino compound, an epoxide and a dicarboxylic acid monoamide.
The molecule OC(=O)CC(=O)\C=C\C(O)=O OC(=O)CC(=O)\C=C\C(O)=O is fumarylacetic acid. It is a conjugate acid of fumarylacetate . It is also related to or classified as 4-oxohex-2-enedioic acid  .
The molecule CCC(C)C(O)=O CCC(C)C(O)=O is A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. It has the role of bacterial metabolite . It has the role of human metabolite . It is a conjugate acid of 2-methylbutyrate . It is also related to or classified as methylbutyric acid .