Showing results for Organic acids and derivatives
Total number of hits: 143
Click on results for more details:
PCNDIDOT0086
(1R,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES: C(C(C(C(=O)O)O)C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0121
(2R,3R)-3-hydroxypyrrolidine-2-carboxylic acid
Canonical SMILES: C1CNC(C1O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0129
(2R,4S)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
Canonical SMILES: C[N+]1(CC(CC1C(=O)[O-])O)C
Class: Carboxylic acids and derivatives
Disease: PD
PCNDIDOT0132
(2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate
Canonical SMILES: CS(=O)CCC(C(=O)[O-])[NH3+]
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0133
(2S)-2-azaniumyl-6-(carbamoylamino)hexanoate
Canonical SMILES: C(CCNC(=O)N)CC(C(=O)[O-])[NH3+]
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0164
(3S)-3-hydroxy-D-aspartic acid
Canonical SMILES: C(C(C(=O)O)O)(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDOT0224
(R)-3-Hydroxybutyric acid
Canonical SMILES: CC(CC(=O)O)O
Class: Hydroxy acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0238
(R)-Piperidine-2-carboxylic acid
Canonical SMILES: C1CCNC(C1)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0243
(S)-2-(Methylamino)-3-phenylpropanoic acid hydrochloride
Canonical SMILES: CNC(CC1=CC=CC=C1)C(=O)O.Cl
Class: Carboxylic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0261
(S)-tropic acid
Canonical SMILES: C1=CC=C(C=C1)C(CO)C(=O)O
Class: Hydroxy acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0262
(S)-Tryptophan-beta-xanthin
Canonical SMILES: C1C(NC(=CC1=CC=NC(CC2=C[NH2+]C3=CC=CC=C32)C(=O)O)C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0288
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Class: Hydroxy acids and derivatives
Disease: PD
PCNDIDOT0351
1,6-(2-Oxoindoline-3,3-diyltrimethylene)-2-methyl-4(1H)-oxo-5,6-dihydronicotinic acid
Canonical SMILES: CC1=C(C(=O)CC2N1C3(CCC2)C4=CC=CC=C4NC3=O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0445
2-({2-[(2-Amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid
Canonical SMILES: C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDOT0833
4-Amino-D-phenylalanine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0837
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
Canonical SMILES: CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0842
4-Guanidinobutyric acid
Canonical SMILES: C(CC(=O)O)CN=C(N)N
Class: Carboxylic acids and derivatives
Disease: AD, Epilepsy
PCNDIDA0003
Abrine
Canonical SMILES: CNC(CC1=CNC2=CC=CC=C21)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDA0009
Acetic Acid
Canonical SMILES: CC(=O)O
Class: Carboxylic acids and derivatives
Disease: Myasthenia Gravis, Canavan
PCNDIDA0019
Acetylcysteine
Canonical SMILES: CC(=O)NC(CS)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDA0044
Alanine
Canonical SMILES: CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDA0048
Alchornine
Canonical SMILES: CC(=C)C1CN2C(=O)CC(NC2=N1)(C)C
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDA0054
Allicin
Canonical SMILES: C=CCSS(=O)CC=C
Class: Thiosulfinic acid esters
Disease: AD, PD
PCNDIDA0055
Alliin
Canonical SMILES: C=CCS(=O)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDA0071
alpha-(Hydroxymethyl)serine
Canonical SMILES: C(C(CO)(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDA0128
Ancovenin
Canonical SMILES: CC1C2C(=O)NC(C(=O)NC(C(=O)NC3CSCC(C(=O)NC(CS1)C(=O)NC(=C)C(=O)NC(C(=O)NCC(=O)N4CCCC4C(=O)NC(C(=O)N2)CC(C)C)CC5=CC=CC=C5)NC(=O)C(NC(=O)C(NC(=O)C(CSC(C(NC(=O)C(NC(=O)CNC(=O)C(NC3=O)CC(=O)O)CC(=O)N)C(=O)NC(CCCCN)C(=O)O)C)N)C(C)C)CCC(=O)N)CO)CC6=CNC7=CC=CC=C76
Class: Peptidomimetics
Disease: AD
PCNDIDA0175
Arginine
Canonical SMILES: C(CC(C(=O)O)N)CN=C(N)N
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDA0210
Asparagine
Canonical SMILES: C(C(C(=O)O)N)C(=O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDA0211
Aspartic Acid
Canonical SMILES: C(C(C(=O)O)N)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, Huntington disease
PCNDIDA0212
Aspartylmethionylarginine
Canonical SMILES: CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)N
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDA0213
Aspergillomarasmine B
Canonical SMILES: C(C(C(=O)O)NCC(C(=O)O)NCC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDA0231
Atroscine
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Class: Hydroxy acids and derivatives
Disease: AD
PCNDIDA0234
Aurantiamide acetate
Canonical SMILES: CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDB0023
Benzeneacetic acid, alpha-hydroxy-alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)(C4=CC=CC=C4)O
Class: Hydroxy acids and derivatives
Disease: AD
PCNDIDB0082
Betaine
Canonical SMILES: C[N+](C)(C)CC(=O)[O-]
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDB0098
Betonicine
Canonical SMILES: C[N+]1(CC(CC1C(=O)[O-])O)C
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDB0124
Boc-D-tyrosine
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDB0125
Boc-L-4-Cyanophenylalanine
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0012
Calcium (S)-2-amino-3-carboxypropanoate
Canonical SMILES: C(C(C(=O)[O-])N)C(=O)O.C(C(C(=O)[O-])N)C(=O)O.[Ca+2]
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDC0054
Carnosine
Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
Class: Peptidomimetics
Disease: AD, Meningitis, Multiple sclreosis
PCNDIDC0101
Chebulic acid
Canonical SMILES: C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0128
Chymotrypsin
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)CCC(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0182
cis-4-Hydroxy-L-proline
Canonical SMILES: C1C(CNC1C(=O)O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0186
cis-Aconitic acid
Canonical SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0195
Citric Acid
Canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0199
Citrulline
Canonical SMILES: C(CC(C(=O)O)N)CNC(=O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0267
Creatine
Canonical SMILES: CN(CC(=O)O)C(=N)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0303
Cyclo(Tyr-Val)
Canonical SMILES: CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0304
Cycloalliin
Canonical SMILES: CC1CS(=O)CC(N1)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0329
Cysteine
Canonical SMILES: C(C(C(=O)O)N)S
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDD0021
D-Dopa
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDD0026
Defensamide
Canonical SMILES: CCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDD0117
Diethyl sulfate
Canonical SMILES: CCOS(=O)(=O)OCC
Class: Organic sulfuric acids and derivatives
Disease: AD
PCNDIDD0169
DL-Tyrosine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDD0170
D-malate
Canonical SMILES: C(C(C(=O)O)O)C(=O)O
Class: Hydroxy acids and derivatives
Disease: AD
PCNDIDD0176
D-ornithine
Canonical SMILES: C(CC(C(=O)O)N)CN
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDD0177
D-phenylalanine
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDD0182
D-serine
Canonical SMILES: C(C(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDD0185
D-tyrosine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDE0082
Ethyl Acetate
Canonical SMILES: CCOC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDE0091
Ethyl isobutyrate
Canonical SMILES: CCOC(=O)C(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDE0096
Ethyl propionate
Canonical SMILES: CCC(=O)OCC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDE0101
Etilevodopa
Canonical SMILES: CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDF0036
Folic Acid
Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDF0038
Formic acid, copper salt
Canonical SMILES: C(=O)O.[Cu]
Class: Carboxylic acids and derivatives
Disease: AD, Canavan
PCNDIDF0045
Frangufoline
Canonical SMILES: CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C(C)C
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDG0014
Gamma-Aminobutyric Acid
Canonical SMILES: C(CC(=O)O)CN
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDG0015
gamma-Aminobutyric acid hydrochloride
Canonical SMILES: C(CC(=O)O)CN.Cl
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDG0103
Glutamic Acid
Canonical SMILES: C(CC(=O)O)C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDG0104
Glutamine
Canonical SMILES: C(CC(=O)N)C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDG0105
Glutamyl-Histidine
Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)C(CCC(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDG0106
Glutathione
Canonical SMILES: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDG0112
Glycine
Canonical SMILES: C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: PD, Canavan
PCNDIDG0124
Glyoxylic acid
Canonical SMILES: C(=O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDH0037
Himbosine
Canonical SMILES: CC1CCC2C3N1C45C6CCC(C(C6C(C(=C4C2(CC5C3)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDH0047
Histidine
Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDH0052
Homocarnosine
Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN
Class: Peptidomimetics
Disease: AD
PCNDIDH0059
Hovenine A
Canonical SMILES: CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C(C)C)NC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDH0072
Hyoscine
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Class: Hydroxy acids and derivatives
Disease: AD, Epilepsy
PCNDIDH0075
Hypaphorine
Canonical SMILES: C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-]
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDI0051
Isobutyric acid
Canonical SMILES: CC(C)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDI0106
Isopropyl acetate
Canonical SMILES: CC(C)OC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDI0108
Isopropyl formate
Canonical SMILES: CC(C)OC=O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDJ0010
Jubanine A
Canonical SMILES: CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N(C)C)OC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDK0019
Kainic acid
Canonical SMILES: CC(=C)C1CNC(C1CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, PD, Encephalitits, Meningitis
PCNDIDL0003
L-2,4-diaminobutyric acid
Canonical SMILES: C(CN)C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: Meningitis
PCNDIDL0004
L-2-Aminobutyric acid
Canonical SMILES: CCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDL0007
Lactic Acid
Canonical SMILES: CC(C(=O)O)O
Class: Hydroxy acids and derivatives
Disease: AD
PCNDIDL0011
L-Alloisoleucine
Canonical SMILES: CCC(C)C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDL0012
Laminine
Canonical SMILES: C[N+](C)(C)CCCCC(C(=O)[O-])N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDL0035
Leucine
Canonical SMILES: CC(C)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDL0040
Levodopa
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDL0083
L-mimosine
Canonical SMILES: C1=CN(C=C(C1=O)O)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDL0094
L-Pyroglutamic acid
Canonical SMILES: C1CC(=O)NC1C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDL0103
Lupulone
Canonical SMILES: CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O
Class: Vinylogous acids
Disease: AD, PD
PCNDIDL0111
Lyciumin A
Canonical SMILES: CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C5CCC(=O)N5)C6=CC=CC=C26)C(=O)O)CO
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDL0112
Lyciumin B
Canonical SMILES: CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C6CCC(=O)N6)C7=CC=CC=C27)C(=O)O)CO
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0016
Maleic Acid
Canonical SMILES: C(=CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0017
Malonic acid
Canonical SMILES: C(C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0030
Mauritine D
Canonical SMILES: CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0054
Methacrylic Acid
Canonical SMILES: CC(=C)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0055
Methionine
Canonical SMILES: CSCCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0080
Methyl 2-isocyano-2-methylpropanoate
Canonical SMILES: CC(C)(C(=O)OC)[N+]#[C-]
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0092
Methyl acetate
Canonical SMILES: CC(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0113
Methyl propionate
Canonical SMILES: CCC(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0127
Microginin
Canonical SMILES: CCCCCCCC(C(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N
Class: Peptidomimetics
Disease: AD
PCNDIDM0130
Mimosine
Canonical SMILES: C1=CN(C=C(C1=O)O)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDM0162
Muracein A
Canonical SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)N)N)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0163
Muracein B
Canonical SMILES: CC(C(=O)N(C(C)C(=O)O)C(=O)C(C)NC(=O)C(CCC(C(C(=O)N)N)C(=O)CCC(C(=O)O)N)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDN0007
n,n,n-Trimethyllysine
Canonical SMILES: C[N+](C)(C)CCCCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDN0011
N,N-Dimethylglycine methyl ester
Canonical SMILES: CN(C)CC(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDN0012
N,N-Dimethyl-L-phenylalanine
Canonical SMILES: CN(C)C(CC1=CC=CC=C1)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDN0057
Nicotianamine
Canonical SMILES: C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDN0097
Norvaline
Canonical SMILES: CCCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDO0041
Oxalic Acid
Canonical SMILES: C(=O)(C(=O)O)O
Class: Carboxylic acids and derivatives
Disease: AD, Canavan
PCNDIDP0012
Palmitoylethanolamide
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NCCO
Class: Carboximidic acids and derivatives
Disease: AD
PCNDIDP0044
Pentanoic acid, 5-hydroxy-4-oxo-
Canonical SMILES: C(CC(=O)O)C(=O)CO
Class: Keto acids and derivatives
Disease: AD
PCNDIDP0048
Pepstatin
Canonical SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Class: Peptidomimetics
Disease: AD
PCNDIDP0086
Phenylalanine
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDP0167
Proline
Canonical SMILES: C1CC(NC1)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDP0170
Propionic Acid
Canonical SMILES: CCC(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDP0228
Pyruvic Acid
Canonical SMILES: CC(=O)C(=O)O
Class: Keto acids and derivatives
Disease: AD
PCNDIDS0017
s-Allyl cysteine sulfoxide
Canonical SMILES: C=CCS(=O)OC(=O)C(CS)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0018
S-allyl-L-cysteine
Canonical SMILES: C=CCSCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0019
s-Allylmercaptocysteine
Canonical SMILES: C=CCSSCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0030
Sambacoside A
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(CC3C(CO)COC(=O)CC4C(=COC(C4=CC)OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)OC(=O)CC6C(=COC(C6=CC)OC7C(C(C(C(O7)CO)O)O)O)C(=O)OC)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0037
Sanjoinenine
Canonical SMILES: CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C=CC3=CC=CC=C3)C(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0038
Sanjoinine B
Canonical SMILES: CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)NC)C(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0049
Scandenolide
Canonical SMILES: CC(=O)OC1CC2C(O2)(CC3C(C4C=C1C(=O)O4)C(=C)C(=O)O3)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0061
Scopolamine
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Class: Hydroxy acids and derivatives
Disease: PD, Epilepsy
PCNDIDS0074
Se-methylselenocysteine
Canonical SMILES: C[Se]CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0149
Stachydrine
Canonical SMILES: C[N+]1(CCCC1C(=O)[O-])C
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDS0171
Succinic Acid
Canonical SMILES: C(CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDS0177
Suspenolic acid
Canonical SMILES: CC(=O)OC1CCC(=CC(=O)O)CC1
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDT0014
Taurine
Canonical SMILES: C(CS(=O)(=O)O)N
Class: Organic sulfonic acids and derivatives
Disease: AD, PD
PCNDIDT0020
Tenathan
Canonical SMILES: CNC(=NC)NCC1=CC=CC=C1.OS(=O)(=O)O
Class: Organic sulfuric acids and derivatives
Disease: AD, PD
PCNDIDT0028
tert-Butylurea
Canonical SMILES: CC(C)(C)NC(=O)N
Class: Organic carbonic acids and derivatives
Disease: AD, PD
PCNDIDT0055
Thiosulfinate
Canonical SMILES: CC=CSS(=O)C=CC
Class: Thiosulfinic acid esters
Disease: AD
PCNDIDT0058
Threonine
Canonical SMILES: CC(C(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDT0132
Tyrosine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDV0004
Valine
Canonical SMILES: CC(C)C(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: PD
PCNDIDV0046
Vulgaxanthin I
Canonical SMILES: C1C(NC(=CC1=CC=NC(CCC(=O)N)C(=O)O)C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDW0001
Wallichilide
Canonical SMILES: CCCCC(=O)C12CCC(C=C1C(=O)OC)C3C2C4=C(CC3)C(=CCCC)OC4=O
Class: Keto acids and derivatives
Disease: AD