Aminolevulinic Acid
PubChem CID: 137
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| Compound Synonyms | 5-Aminolevulinic acid, Aminolevulinic acid, 106-60-5, 5-Amino-4-oxopentanoic acid, 5-Aminolevulinate, Pentanoic acid, 5-amino-4-oxo-, delta-aminolevulinic acid, Aladerm, 5-Amino-4-oxovaleric acid, 5-ALA, Aminolevulinate, Kerastick, delta-ALA, 5-amino-4-oxo-pentanoic acid, 5-Aminolaevulinic acid, 5-amino-levulinate, Levulinic acid, 5-amino-, D-aminolevulinic acid, 5-amino-levulinic acid, CCRIS 8958, 5-Amino-4-oxopentanoate, EINECS 203-414-1, Amino-levulinic acid, DALA, UNII-88755TAZ87, CHEBI:17549, CHEMBL601, 88755TAZ87, .delta.-aminolevulinic acid, 4-oxo-5-amino-pentanoic acid, DTXSID8048490, 5-azanyl-4-oxidanylidene-pentanoic acid, delta-aminolevulinate, Aminolevulinic, 5-AMINOLEVULINIC ACID (MART.), 5-AMINOLEVULINIC ACID [MART.], 5-Aminolaevulinate, SMR000857229, Acid, Aminolevulinic, Delta Aminolevulinic Acid, Acid, Delta-Aminolevulinic, BF-200 ALA, FVT, 5-aminolevulinic-acid, d-amino-levulinic acid, acido 5-aminolevulinico, Spectrum_001582, 5-Amino-4-oxovalerate, SpecPlus_000858, Spectrum2_001662, Spectrum3_001654, Spectrum4_000618, Spectrum5_001505, 5-amino-4-oxo-Pentanoate, SCHEMBL8243, BSPBio_003407, KBioGR_001176, KBioSS_002062, MLS001333097, MLS001333098, BIDD:GT0260, DivK1c_006954, SPBio_001843, GTPL4784, DTXCID4028464, KBio1_001898, KBio2_002062, KBio2_004630, KBio2_007198, KBio3_002627, GLXC-04438, HMS2231I19, HMS3259E22, HMS3369O14, AMINOLEVULINIC ACID [VANDF], Levulinic acid, 5-amino- (8CI), ALBB-023627, BCP23830, AC-054, AMINOLEVULINIC ACID [WHO-DD], BDBM50240386, LMFA01100055, MFCD00044485, MSK167093, AKOS003587520, CS-W000450, DB00855, HY-W000450, NC00601, NCGC00178086-01, NCGC00178086-06, .DELTA.-AMINOLEVULINIC ACID [MI], AS-30950, Pentanoic acid, 5-amino-4-oxo- (9CI), SBI-0206721.P001, 1ST167093, DB-040692, NS00001951, C00430, D07567, EN300-101562, AB00053763-07, AB00053763-08, AB00053763_09, AB00053763_10, Q238474, BRD-K57631554-003-06-2, BRD-K57631554-003-07-0, 35BEC718-C970-426A-9859-BF58284C60B4, METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY B [EP IMPURITY], 203-414-1, Aminolevulinic Acid, ALA, 5-Amino-4-oxopentanoic acid, 5-amino-4-oxo-pentanoic acid, 5-amino-4-keto-valeric acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | NCC=O)CCC=O)O |
| Heavy Atom Count | 9.0 |
| Pathway Kegg Map Id | map00260, map00860 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | An intermediate in heme synthesis. This is the first compound in the porphyrin synthesis pathway. It is produced by the enzyme ALA synthase, from glycine and succinyl CoA. This reaction is known as the Shemin pathway. Aminolevulinic acid plus blue light illumination using a blue light photodynamic therapy illuminator is indicated for the treatment of minimally to moderately thick actinic keratoses of the face or scalp. [HMDB]. 5-Aminolevulinic acid is found in many foods, some of which are fireweed, chia, sesbania flower, and taro. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22557, P13196, P13716 |
| Iupac Name | 5-amino-4-oxopentanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H9NO3 |
| Inchi Key | ZGXJTSGNIOSYLO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 5-ALA, 5-amino-4-oxo-Pentanoate, 5-amino-4-oxo-Pentanoic acid, 5-Amino-4-oxopentanoate, 5-Amino-4-oxopentanoic acid, 5-Amino-4-oxovalerate, 5-Amino-4-oxovaleric acid, 5-amino-Levulinate, 5-amino-Levulinic acid, 5-aminolaevulinate, 5-Aminolaevulinic acid, 5-Aminolevulinate, Aladerm, Amino-levulinic acid, Aminolevulinate, Aminolevulinic acid, DALA, delta-ALA, delta-aminolevulinate, delta-Aminolevulinic acid, Kerastick, δ-ala, δ-aminolevulinate, δ-aminolevulinic acid, Δ-ala, delta-Aminolevulinate, Δ-aminolevulinate, Δ-aminolevulinic acid, 5-Amino-4-oxo-pentanoate, 5-Amino-4-oxo-pentanoic acid, 5-Amino-levulinate, 5-Amino-levulinic acid, 5-Aminolaevulinate, 5 Aminolevulinate, Acid, Delta-aminolevulinic, Levulan, 5 Aminolaevulinate, Acid hydrochloride, aminolevulinic, Bertek brand OF aminolevulinic acid hydrochloride, Hydrochloride, aminolevulinic acid, Acid, aminolevulinic, Aminolevulinic acid hydrochloride, Delta Aminolevulinic acid, 5-aminolevulinate |
| Substituent Name | Delta amino acid or derivatives, Gamma-keto acid, Short-chain keto acid, Keto acid, Alpha-aminoketone, Ketone, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CC(C)=O, CN |
| Compound Name | Aminolevulinic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 131.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 131.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) |
| Smiles | C(CC(=O)O)C(=O)CN |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Delta amino acids and derivatives |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/1783155 - 3. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all