2-Hydroxypentanoic acid
PubChem CID: 98009
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| Compound Synonyms | 2-Hydroxypentanoic acid, 2-Hydroxyvaleric acid, 617-31-2, 2-hydroxy-pentanoic acid, Pentanoic acid, 2-hydroxy-, DL-2-hydroxy valeric acid, (+-)-2-Hydroxypentanoic acid, alpha-hydroxyvaleric acid, EINECS 210-509-1, MFCD00065002, alpha-hydroxy-n-valeric acid, AI3-06167, CHEBI:60647, DTXSID00871792, NSC 67957, 6450-97-1, 2-hydroxyvalericacid, Hydroxyvaleric acid, 2-hydroxy-pentanoate, Pentanoic acid, 2-hydroxy-, (+-)-, 2-Hydroxypentanoicacid, (+-)-2-Hydroxypentanoate, SCHEMBL28756, (RS)-2-hydroxypentanoic acid, DTXCID40819416, JRHWHSJDIILJAT-UHFFFAOYSA-N, NSC67957, GEO-04489, LMFA01050007, NSC-67957, AKOS002314268, AKOS016052424, AT31140, SB44328, FH164876, DB-182273, NS00014671, EN300-219531, Q27128300, 210-509-1 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Description | 2-Hydroxyvaleric acid is an organic acid present in human biofluids. Its presence in urine has been associated with lactic acidosis, which occurs in Succinic Acidemia (OMIM 600335), a syndrome of organic acidemia associated with congenital lactic acidosis and decreased NADH-cytochrome c reductase activity. 2-Hydroxyvaleric acid presence associated with lactic acidosis has also been found in Propionyl-CoA carboxylase deficiency (OMIM 253260), or Multiple carboxylase deficiency (MCD), an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. (PMID: 9389332, 1790187, 3378323, 3383430, 7313494) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxypentanoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 0.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C5H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRHWHSJDIILJAT-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.112 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -0.846 |
| Synonyms | (+-)-2-Hydroxypentanoate, (+-)-2-Hydroxypentanoic acid, (S)-2-Hydroxyvaleric acid, 2-hydroxy-pentanoate, 2-hydroxy-pentanoic acid, 2-Hydroxypentanoate, 2-Hydroxypentanoic acid, 2-Hydroxyvalerate, a-Hydroxy-N-valerate, a-Hydroxy-N-valeric acid, a-Hydroxyvalerate, a-Hydroxyvaleric acid, alpha-Hydroxy-N-valerate, alpha-Hydroxy-N-valeric acid, alpha-Hydroxyvalerate, alpha-Hydroxyvaleric acid, DL-2-hydroxy valeric acid, α-hydroxy-N-valerate, α-hydroxy-N-valeric acid, α-hydroxyvalerate, α-hydroxyvaleric acid |
| Substituent Name | Hydroxy fatty acid, Methyl-branched fatty acid, Branched fatty acid, Monosaccharide, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | 2-Hydroxypentanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6579183999999998 |
| Inchi | InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) |
| Smiles | CCCC(C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients