JAZL/ChemGist-CHON huggingface dataset:
Compound: Ganoderic acid A
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C[C@H](C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
InChIKey: DYOKDAQBNHPJFD-JNTBEZBXSA-N
Synonyms: Ganoderic acid A, 81907-62-2, 548G37DF65, (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid, DTXSID80903984, Lanost-8-en-26-oic acid, 7,15-dihydroxy-3,11,23-trioxo-, (7beta,15alpha,25R)-, (2R,6R)-6-((5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid, RefChem:37018, DTXCID401331919, (25R)-3,11,23-trioxo-7beta,15alpha-dihydroxy-lanost-8-ene-26-oic acid, Ganoderic-acid-A, C30H44O7, MFCD26131275, (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid, Lanost-8-en-26-oic acid, 7,15-dihydroxy-3,11,23-trioxo-, (7.beta.,15.alpha.,25R)-, CHEMBL602899, UNII-548G37DF65, (7ss,15a,25R)-7,15-Dihydroxy-3,11,23-trioxo-lanost-8-en-26-oic Acid; Ganoderic acid A, Ganoderic acid A CRS, Ganoderic acid A (Standard), GANODERIC ACID A [MI], SCHEMBL26959617, HY-N1447R, CHEBI:168262, DYOKDAQBNHPJFD-JNTBEZBXSA-N, GANODERIC ACID A [USP-RS], HY-N1447, MSK000860, CS-5856, EBC-509179, FG63152, (2R,6R)-6-[(1R,3S,3aR,4S,5aR,9aS,11aR)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid, Q3604527, (25R)-7beta,15alpha-Dihydroxy-3,11,23-trioxolanost-8-en-26-oic acid, GANODERIC ACID A (CONSTITUENT OF GANODERMA LUCIDUM FRUITING BODY) [DSC], Lanost-8-en-26-oic acid\, 7\,15-dihydroxy-3\,11\,23-trioxo-\, (7beta\,15alpha\,25R)-
Theoretical properties:
molecular_formula: C30H44O7
molecular_weight: 516.7 g/mol
exact_mass: 516.30870374 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 6
heavy_atom_count: 37
topological_polar_surface_area: 129 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ganoderic acid A is a triterpenoid.
chembl: GANODERIC ACID A is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ganoderic acids are a class of closely related triterpenoids (derivatives from lanosterol) found in Ganoderma mushrooms.  For thousands of years, the fruiting bodies of Ganoderma fungi have been used in traditional medicines in East Asia. Consequently, there have been efforts to identify the chemical constituents that may be responsible for the putative pharmacological effects.  The two most well described ganoderic acids out of the many that have been identified and characterized are ganoderic acids A and B. Some ganoderic acids have been found to possess biological activities including hepatoprotection, anti-tumor effects, and 5-alpha reductase inhibition.
Compound: glutamate-1-semialdehyde
SMILES: O=C(O)CC[C@H](N)C=O
InChIKey: MPUUQNGXJSEWTF-BYPYZUCNSA-N
Synonyms: glutamate-1-semialdehyde, (4S)-4-amino-5-oxopentanoic acid, 68462-55-5, (S)-4-amino-5-oxopentanoic acid, 6KX9PX9562, Pentanoic acid, 4-amino-5-oxo-, (S)-, CHEBI:15757, DTXSID40903985, 4-AMINO-5-OXOPENTANOIC ACID, (4S)-, (4S)-4-azaniumyl-5-oxopentanoate, RefChem:906155, DTXCID701331920, L-Glutamate 1-semialdehyde, (S)-4-amino-5-oxopentanoate, C03741, SCHEMBL52133, SCHEMBL61228, SCHEMBL258995, UNII-6KX9PX9562, SCHEMBL1310560, SCHEMBL1312400, Q3109309
Theoretical properties:
molecular_formula: C5H9NO3
molecular_weight: 131.13 g/mol
exact_mass: 131.058243149 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 9
topological_polar_surface_area: 80.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (S)-4-amino-5-oxopentanoic acid is a 5-oxo monocarboxylic acid that is 5-oxopentanoic acid substituted by an amino group at position 4 (the 4S-stereoisomer). It has a role as an Escherichia coli metabolite. It is a glutamic semialdehyde, a gamma-amino acid and a 5-oxo monocarboxylic acid. It is functionally related to a valeric acid. It is a conjugate acid of a (S)-4-amino-5-oxopentanoate. It is a tautomer of a (S)-4-amino-5-oxopentanoic acid zwitterion.
chebi: A 5-oxo monocarboxylic acid that is 5-oxopentanoic acid substituted by an amino group at position 4 (the 4<i>S</i>-stereoisomer).
wikipedia: Glutamate-1-semialdehyde is a molecule formed from by the reduction of tRNA bound glutamate, catalyzed by glutamyl-tRNA reductase. It is isomerized by glutamate-1-semialdehyde 2,1-aminomutase to give aminolevulinic acid in the biosynthesis of porphyrins, including heme and chlorophyll.
SMILES: O=C1OC[C@@]23[C@@]4([C@]5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@]6([C@@H](C(=C1)CCO6)O)[C@@H](O)C)C
InChIKey: MUACSCLQRGEGOE-XUEPVHIBSA-N
Theoretical properties:
Physical properties:
Descriptions:
Compound: N,N-dimethylglycine
SMILES: O=C(O)CN(C)C
InChIKey: FFDGPVCHZBVARC-UHFFFAOYSA-N
Synonyms: N,N-dimethylglycine, 1118-68-9, dimethylglycine, 2-(dimethylamino)acetic acid, (Dimethylamino)acetic acid, glycine, N,N-dimethyl-, N-Methylsarcosine, N,N-Dimethylaminoacetic acid, 7797M4CPPA, DTXSID6074336, CHEBI:17724, 2-(dimethylazaniumyl)acetate, RefChem:57349, DTXCID1033244, 214-267-8, N,N-Dimethyl Glycine, MFCD00004283, dimethyl glycine, BRN 1700261, dimethylaminoacetic acid, EINECS 214-267-8, UNII-7797M4CPPA, N,N-dimethyglycine, N,N-dimethylglycin, N,N dimethylglycine, n,n,-dimethylglycine, n,n-dimethyl-glycine, N, N-dimethylglycine, N,N dimethyl glycine, Dimethylglycine Powder, (Dimethylamino)acetate, N, N-dimethyl glycine, N,-N-dimethyl glycine, dimethylamino acetic acid, dimethylamino-acetic acid, N,N-Dimethylaminoacetate, 2-(Dimethylamino)acetate, 2-dimethylaminoacetic acid, bmse000241, 2-(dimethylamino)aceticacid, SCHEMBL21778, (Dimethylamino)acetic acid #, 4-04-00-02365 (Beilstein Handbook Reference), N,N-Dimethylglycine, >=99%, orb1303140, SCHEMBL1275724, SCHEMBL1954055, SCHEMBL7055782, SCHEMBL8125857, SCHEMBL8544884, SCHEMBL8544885, SCHEMBL9172781, CHEMBL1232274, N,N-DIMETHYLGLYCINE [MI], CS-D1391, HY-Y0511, STR05828, EBC-47565, s6056, SBB065779, STL138371, N,N-DIMETHYLGLYCINE [WHO-DD], AKOS003590893, DB02083, FD39268, N-Methylsarcosine N,N-dimethyl-Glycine, NCGC00532505-01, 780741-89-1, BP-10272, SY001194, DB-041016, D3585, NS00014879, Q4369, EN300-66975, C01026, N,N-Dimethylglycine, puriss., >=99.0% (NT), F044353, Z235580496, 3C95768C-C28C-4AF9-A119-01AC8F0B963B, N,N-Dimethylglycine, for HPLC derivatization, >=99% (NT), InChI=1/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7
Theoretical properties:
molecular_formula: C4H9NO2
molecular_weight: 103.12 g/mol
exact_mass: 103.063328530 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: N,N-dimethylglycine is an N-methylglycine that is glycine carrying two N-methyl substituents. It has a role as a mouse metabolite, a human metabolite and a Daphnia magna metabolite. It is a N-methyl-amino acid and a member of N-methylglycines. It is a tautomer of a N,N-dimethylglycine zwitterion.
chebi: An <em>N</em>-methylglycine that is glycine carrying two <em>N</em>-methyl substituents.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dimethylglycine (DMG) is a derivative of the amino acid glycine with the structural formula (CH3)2NCH2COOH. It can be found in beans and liver, and has a sweet taste. It can be formed from trimethylglycine upon the loss of one of its methyl groups.  It is also a byproduct of the metabolism of choline.
When DMG was first discovered, it was referred to as Vitamin B16, but, unlike true B vitamins, deficiency of DMG in the diet does not lead to any ill-effects and it is synthesized by the human body in the citric acid cycle meaning it does not meet the definition of a vitamin.
Compound: RefChem:1060513
SMILES: O=c1nc([nH]c2c1NC(CN2)CN(c3ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc3)C=O)N
InChIKey: AUFGTPPARQZWDO-UHFFFAOYSA-N
Synonyms: RefChem:1060513, 2-((4-((2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl-formylamino)benzoyl)amino)pentanedioic acid, SCHEMBL8060, SCHEMBL21768339, 2-[4-[(2-AMINO-4-OXO-5,6,7,8-TETRAHYDRO-1H-PTERIDIN-6-YL)METHYL-FORMYL-AMINO]BENZOYL]AMINOPENTANEDIOIC ACID, PD165967, Q2405371
Theoretical properties:
molecular_formula: C20H23N7O7
molecular_weight: 473.4 g/mol
exact_mass: 473.16589610 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 9
heavy_atom_count: 34
topological_polar_surface_area: 216 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A tetrahydrofolyl glutamate consisting of a 10-formyltetrahydrofolyl group linked via an amide bond to a poly(γ-glutamyl chain)
Compound: Pterin H B2
SMILES: O=c1nc([nH]c2c1nc(cn2)C(O)C(O)C)N
InChIKey: LHQIJBMDNUYRAM-UHFFFAOYSA-N
Synonyms: Pterin H B2, 2-amino-6-(1,2-dihydroxypropyl)-3H-pteridin-4-one, RefChem:1048703, 36183-24-1, d-threo biopterin, a biopterin, GlyTouCan:G98029FX, Oprea1_819395, SCHEMBL258468, 2-amino-6-(1,2-dihydroxypropyl)-1H-pteridin-4-one, SCHEMBL4361085, SCHEMBL17867110, SCHEMBL31540107, G98029FX, EINECS 252-902-0, SBB067190, ZINC00402738, ZINC00402740, AKOS015902741, FB11303, NS00014765, C06313, 1-(2-amino-4-hydroxypteridin-6-yl)propane-1,2-diol, 2-amino-6-(1,2-dihydroxypropyl)pteridin-4(3H)-one, Q57742483, a 2-amino-4-hydroxy-6-(1,2-dihydroxypropyl)-pteridine, (R,S)-(1)-2-Amino-6-(1,2-dihydroxypropyl)-1H-pteridin-4-one
Theoretical properties:
molecular_formula: C9H11N5O3
molecular_weight: 237.22 g/mol
exact_mass: 237.08618923 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 17
topological_polar_surface_area: 134 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Biopterin is a pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature. It has a role as a coenzyme and a metabolite.
chebi: A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the <small>L</small>-<i>erythro</i> isomer occurs widely in nature.
wikipedia: Cryptochromes (from the Greek κρυπτός χρώμα, "hidden colour") are a class of flavoproteins found in plants and animals that are sensitive to blue light. They are involved in the circadian rhythms and the sensing of magnetic fields in a number of species. The name cryptochrome was proposed as a portmanteau combining the chromatic nature of the photoreceptor, and the cryptogamic organisms on which many blue-light studies were carried out.
The genes CRY1 and CRY2 encode the proteins CRY1 and CRY2, respectively. Cryptochromes are classified into plant Cry and animal Cry. Animal Cry can be further categorized into insect type (Type I) and mammal-like (Type II). CRY1 is a circadian photoreceptor whereas CRY2 is a clock repressor which represses Clock/Cycle (Bmal1) complex in insects and vertebrates. In plants, blue-light photoreception can be used to cue developmental signals. Besides chlorophylls, cryptochromes are the only proteins known to form photoinduced radical-pairs in vivo. These appear to enable some animals to detect magnetic fields.
Cryptochromes have been the focus of several efforts in optogenetics. Employing transfection, initial studies on yeast have capitalized on the potential of CRY2 heterodimerization to control cellular processes, including gene expression, by light.
Compound: 6,7-Dimethyl-8-ribityllumazine
SMILES: O=c1nc-2n(c(c(C)nc2c([nH]1)=O)C)C[C@H](O)[C@H](O)[C@H](O)CO
InChIKey: SXDXRJZUAJBNFL-XKSSXDPKSA-N
Synonyms: 6,7-Dimethyl-8-ribityllumazine, 6,7-dimethyl-8-(1-D-ribityl)lumazine, Russupteridine IV, 6,7-dimethyl-8-(D-ribityl)lumazine, RL-6,7-diMe, O1DSD0WC7M, 6,7-dimethyl-8-D-ribityllumazine, CHEBI:17601, UNII-O1DSD0WC7M, Riboflavin impurity C [EP], DTXSID90199199, RIBOFLAVIN IMPURITY C [EP IMPURITY], 1-Deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2H)-pteridinyl)-ribitol, Ribitol, 1-deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2H)-pteridinyl)-, D-RIBITOL, 1-DEOXY-1-(3,4-DIHYDRO-6,7-DIMETHYL-2,4-DIOXO-8(2H)-PTERIDINYL)-, RIBOFLAVIN IMPURITY C (EP IMPURITY), Riboflavin impurity C, RefChem:103865, DTXCID70121690, 6,7-Dimethyl-8-ribityllumazine, (D)-isomer, 4-hydroxy-6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridin-2-one, 6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)-2,3,4,8-tetrahydropteridine-2,4-dione, 2535-20-8, DMDRL, 6,7-Dimethylribityl Lumazine, 5118-16-1, 6,7-Dimethyl-8-(1'-D-ribityl)lumazine, Riboflavin EP Impurity C, 6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione, 6,7-Dimethylribolumazine, 6,7-Dimethylribityllumazine, 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol, 6,7-Dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridine-2,4-dione, 1-deoxy-1-[6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-ribitol, 6,7-Dimethyl-8-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)pteridine-2,4(3H,8H)-dione, Lumazine, 6,7-dimethyl-8-(D-ribo-2,3,4,5-tetrahydroxypentyl)-, 1-Deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2H)-pteridinyl)-D-ribitol, 6,7-Dimethylribityl Lumazine (>90%), 2,4(1H,3H)-Pteridinedione, 6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)-, (2S-(2R*,3R*,4S*))-, Epitope ID:178096, orb1690784, 6,7-dimethyl-8-ribitvllumazine, SCHEMBL15603809, SCHEMBL21524592, 6,7-Dimethyl-8-ribityl lumazine, SXDXRJZUAJBNFL-XKSSXDPKSA-N, AKOS040757841, DA-60492, PD064070, 6,7-dimethyl-8-(1'-D-ribityl) lumazine, 6,7-dimethyl-8-(1'-D-ribityl)-lumazine, HY-111661, CS-0089408, C04332, Q4641523
Theoretical properties:
molecular_formula: C13H18N4O6
molecular_weight: 326.31 g/mol
exact_mass: 326.12263431 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 5
heavy_atom_count: 23
topological_polar_surface_area: 155 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 6,7-dimethyl-8-(1-D-ribityl)lumazine is the pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-D-ribityl group on N-8. It has a role as a cofactor and an Escherichia coli metabolite. It is functionally related to a ribitol and a lumazine. It is a conjugate acid of a 6,7-dimethyl-8-(1-D-ribityl)lumazine(1-).
chebi: The pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-<small>D</small>-ribityl group on N-8.
wikipedia: 6,7-Dimethyl-8-ribityllumazine is a precursor for riboflavin. It is acted upon by riboflavin synthase.
SMILES: O=C(Nc1ccc(O)cc1)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIKey: IJBZOOZRAXHERC-DOFZRALJSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: 4-imidazolone-5-propanoate
SMILES: O=C1NC=NC1CCC(=O)O
InChIKey: HEXMLHKQVUFYME-UHFFFAOYSA-N
Synonyms: 4-imidazolone-5-propanoate, 4,5-dihydro-4-oxo-5-imidazolepropanoate, RefChem:1070981, 17340-16-8, Imidazol-4-one-5-propionic acid, 3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid, 4-imidazolone-5-propionic acid, 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid, imidazolonepropanoate, 1h-imidazole-4-propanoic acid, 4,5-dihydro-5-oxo-, 4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid, 4,5-dihydro-4-oxo-5-imidazolepropanoic acid, imidazolone propionate, imidazolone propionic acid, 4-imidazolone-5-propionate, (S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate, starbld0040813, imidazolonepropanoic acid, Tryptophan Impurity 36, imidazol-4-one-5-propionate, 4-imidazolone-5-propanoic acid, SCHEMBL2933248, SCHEMBL30873758, CHEBI:27384, DTXSID10864771, 3a(5ahydroxya4Haimidazola4ayl)propanoic acid, NS00121887, 4,5-dihydro-5-oxo-1h-imidazole-4-propanoate, 3-(5-hydroxy-4H-imidazol-4-yl)propanoic acid, C03680, Q30582, 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate, 3-(5-oxo-4,5-dihydro-1H-imidazol-4-yl)propanoic acid, 3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoic acid, (S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoic acid
Theoretical properties:
molecular_formula: C6H8N2O3
molecular_weight: 156.14 g/mol
exact_mass: 156.05349212 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 11
topological_polar_surface_area: 78.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid is an imidazol-4-one having a 2-carboxyethyl substituent at the 5-position. It has a role as a mouse metabolite. It is an imidazolone and a monocarboxylic acid. It is a conjugate acid of a 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide and a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-).
chebi: An imidazol-4-one having a 2-carboxyethyl substituent at the 5-position.
wikipedia: In enzymology, an imidazolonepropionase (EC 3.5.2.7) is an enzyme that catalyzes the chemical reaction

(S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate + H2O 
  
    
      
        ⇌
      
    
    {\displaystyle \rightleftharpoons }
  
 N-formimidoyl-L-glutamate + H+
Thus, the two substrates of this enzyme are (S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate and H2O, whereas its two products are N-formimidoyl-L-glutamate and H+.
This enzyme belongs to the family of hydrolases, those acting on carbon-nitrogen bonds other than peptide bonds, specifically in cyclic amides.  The systematic name of this enzyme class is 3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate amidohydrolase. Other names in common use include 4(5)-imidazolone-5(4)-propionic acid hydrolase, and imidazolone propionic acid hydrolase.  This enzyme participates in histidine metabolism.
SMILES: O=C(O)C(/N=C/N)CCC(=O)O
InChIKey: NRXIKWMTVXPVEF-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of <em>N</em>-formimidoyl-<small>L</small>-glutamic acid.
Compound: 3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILES: O=C(O)C1N=CCC1
InChIKey: DWAKNKKXGALPNW-UHFFFAOYSA-N
Synonyms: 3,4-dihydro-2H-pyrrole-2-carboxylic acid, 2906-39-0, 1-pyrroline-5-carboxylic acid, 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-, dl-1-pyrroline-5-carboxylic acid, delta-1-pyrroline-5-carboxylic acid, 52TNU46DHL, delta(1)Pyrroline-5-carboxylate, CHEBI:1372, DTXSID00863056, delta-1-pyrroline-5-carboxylate, RefChem:77216, DTXCID60811735, Pyrroline-5-carboxylate, D1-Pyrroline-5-carboxylic acid, 3,4-dihydro-2h-pyrrole-2-carboxylicacid, UNII-52TNU46DHL, SCHEMBL50356, Delta1-Pyrroline-5-carboxylate, CHEMBL1161508, Delta(1)-pyrroline-5-carboxylic acid, NS00075367, C04322, dl-1-pyrroline-5-carboxylic acid??discontinued, Q2823196
Theoretical properties:
molecular_formula: C5H7NO2
molecular_weight: 113.11 g/mol
exact_mass: 113.047678466 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 8
topological_polar_surface_area: 49.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 1-pyrroline-5-carboxylic acid 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.
chebi: A 1-pyrrolinecarboxylic acid that is 1-pyrroline in which one of the hydrogens at position 5 is replaced by a carboxy group.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1-Pyrroline-5-carboxylic acid (systematic name 3,4-dihydro-2H-pyrrole-2-carboxylic acid) is a cyclic imino acid. Its conjugate base and anion is 1-pyrroline-5-carboxylate (P5C). In solution, P5C is in spontaneous equilibrium with glutamate-5-semialdehyde (GSA).
SMILES: O=c1[nH]c(nc2c1N(C=N)C(CN2)CNc3ccc(C(=O)NC(C(=O)[O-])CCC(=O)[O-])cc3)N
InChIKey: YCWUVLPMLLBDCU-UHFFFAOYSA-L
Theoretical properties:
molecular_formula: C20H22N8O6-2
molecular_weight: 470.4 g/mol
exact_mass: 470.16623045 g/mol
formal_charge: -2
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 8
heavy_atom_count: 34
topological_polar_surface_area: 228 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
SMILES: O=C(OC)/C(=C/OC)/[C@@H]1[C@@H](CN2CC[C@]3(C([C@@H]2C1)=Nc4cccc(c34)OC)O)CC
InChIKey: RYENLSMHLCNXJT-CYXFISRXSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: Ethyledennorbornene
SMILES: C1=CC2CCC1C2.C=C
InChIKey: SFFFIHNOEGSAIH-UHFFFAOYSA-N
Synonyms: Ethyledennorbornene, Apel APL 5018, Ethyledennorbornene [Russian], RefChem:568086, Bicyclo2.2.1hept-2-ene, polymer with ethene, bicyclo[2.2.1]hept-2-ene;ethene, Ethene norbornene, Norbornene Ethene, ethylene/norbornene, norbornene ethylene, Ethylene.Norbornene, Ethylene norbornylene, SCHEMBL28199, BBA00743, Q143914
Theoretical properties:
molecular_formula: C9H14
molecular_weight: 122.21 g/mol
exact_mass: 122.109550447 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 9
isotope_atom_count: 0
covalently_bonded_unit_count: 2
Physical properties:
Descriptions:
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(N[C@H](C(N[C@@H](C(N([C@H](C(N([C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)[C@H](CC)C)C)C)CC)[C@H](O)[C@@H](C/C=C/C)C)C
InChIKey: RPJPZDVUUKWPGT-FOIHOXPVSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: NIM811 is a protein listed in the ChEMBL database and has reached clinical trial phase 2.0.
SMILES: O=[N+]([O-])c1oc(/C=C(/c2occc2)\C(=O)N)cc1
InChIKey: LYAHJFZLDZDIOH-VURMDHGXSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A member of the class of acrylamides that is acrylamide which is substituted at positions 2 and 3 by 2-furyl and 5-nitro-2-furyl groups, respectively (the <i>trans</i> isomer). Formerly used as a food preservative, it was withdrawn from the market following suspicions of carcenogenicity.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.