(S)-3-hydroxybutyric acid
PubChem CID: 94318
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (S)-3-Hydroxybutyric acid, (S)-3-hydroxybutanoic acid, 6168-83-8, (3S)-3-hydroxybutanoic acid, (S)-3-Hydroxybutanoate, L-3-Hydroxybutyric acid, (+)-3-Hydroxybutyric acid, Butanoic acid, 3-hydroxy-, (3S)-, (3S)-3-hydroxybutyric acid, L-(+)-3-Hydroxybutyric acid, 3-Hydroxybutanoic acid, (S)-, CHEBI:17290, VK6OM9M3WP, (S)-beta-hydroxybutyric acid, CHEMBL1162497, 3-hydroxy-butyrate, MFCD00137685, (S)-3HB, SMR000857204, beta-Hydroxybutyrate,l, beta-L-hydroxybutyrate, beta-Hydroxybutyrate, L-, UNII-VK6OM9M3WP, beta-L-hydroxybutyric acid, 3HL, EINECS 228-209-4, L-beta-Hydroxybutyrate, L-??Hydroxybutyric acid, (S)-b-Hydroxyisobutyrate, S-3-Hydroxybutanoic acid, (S)-3-hydroxy-Butanoate, (S)-3-hydroxybutanoicacid, (3S)-3-hydroxy-Butanoate, (S)-beta-Hydroxyisobutyrate, L-(+)-b-Hydroxyisobutyrate, (S)-b-Hydroxyisobutyric acid, MLS001333229, MLS001333230, (S)-3-hydroxy-Butanoic acid, SCHEMBL336331, L-(+)-2-methyl-Hydracrylate, L-(+)-beta-Hydroxyisobutyrate, GTPL4699, (+)-3-hydroxy-n-butyric acid, (3S)-3-hydroxy-Butanoic acid, L-(+)-b-Hydroxyisobutyric acid, DTXSID80904613, HMS2231P22, L-(+)-2-methyl-Hydracrylic acid, (S)-3-hydroxy-2-methyl-Propanoate, BDBM50344957, HB4641, LMFA01050463, AKOS006239831, DS-2801, HY-W050031, (S)-.BETA.-HYDROXYBUTANOIC ACID, NCGC00247035-01, (S)-3-Hydroxybutyric acid, >=97.0%, DB-005558, CS-0031375, NS00080866, (S)-(+)-.BETA.-HYDROXYBUTYRIC ACID, (S)-3-HYDROXY-2-METHYL-PROPANOIC ACID, .BETA.-HYDROXYBUTYRIC ACID D-FORM [MI], C03197, EN300-114854, Q27075158 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Description | (S)-3-Hydroxybutyric acid is a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. (PMID 17048218) 3-Hydroxybutyric acid is a ketone body. Like the other ketone bodies (acetoacetate and acetone), levels of 3-Hydroxybutyric acid are raised in ketosis. In humans, 3-Hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q8IWW8, Q9BUT1, Q80UJ1, Q8VC69, Q9UIF8, P83916, O15427, O75496 |
| Iupac Name | (3S)-3-hydroxybutanoic acid |
| Prediction Hob | 1.0 |
| Class | Hydroxy acids and derivatives |
| Xlogp | -0.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Beta hydroxy acids and derivatives |
| Molecular Formula | C4H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHBMMWSBFZVSSR-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Logs | 0.753 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -1.097 |
| Synonyms | (+)-3-Hydroxy-n-butyric acid, (+)-3-Hydroxybutyrate, (+)-3-Hydroxybutyric acid, (3S)-3-hydroxy-Butanoate, (3S)-3-hydroxy-Butanoic acid, (3S)-3-Hydroxybutyrate, (3S)-3-Hydroxybutyric acid, (S)-3-hydroxy-2-methyl-Propanoate, (S)-3-hydroxy-2-methyl-Propanoic acid, (S)-3-hydroxy-Butanoate, (S)-3-hydroxy-Butanoic acid, (S)-3-hydroxybutanoate, (S)-3-Hydroxybutanoic acid, (S)-3-Hydroxybutyrate, (S)-3HB, (S)-b-Hydroxybutyrate, (S)-b-Hydroxybutyric acid, (S)-b-Hydroxyisobutyrate, (S)-b-Hydroxyisobutyric acid, (S)-beta-Hydroxybutyrate, (S)-beta-Hydroxybutyric acid, (S)-beta-Hydroxyisobutyrate, (S)-beta-Hydroxyisobutyric acid, (S)-β-hydroxybutyrate, (S)-β-hydroxybutyric acid, L-(+)-2-methyl-Hydracrylate, L-(+)-2-methyl-Hydracrylic acid, L-(+)-3-Hydroxybutyrate, L-(+)-3-Hydroxybutyric acid, L-(+)-b-Hydroxyisobutyrate, L-(+)-b-Hydroxyisobutyric acid, L-(+)-beta-Hydroxyisobutyrate, L-(+)-beta-Hydroxyisobutyric acid, L-3-Hydroxybutyrate, L-3-Hydroxybutyric acid, L-beta-Hydroxybutyrate, (S)-3Hb, (S)-3-Hydroxybutanoate, (S)-Β-hydroxybutyrate, (S)-Β-hydroxybutyric acid, (+)-3-Hydroxy-N-butyric acid, (3S)-3-Hydroxy-butanoate, (3S)-3-Hydroxy-butanoic acid, (S)-3-Hydroxy-2-methyl-propanoate, (S)-3-Hydroxy-2-methyl-propanoic acid, (S)-3-Hydroxy-butanoate, (S)-3-Hydroxy-butanoic acid, L-(+)-2-Methyl-hydracrylate, L-(+)-2-Methyl-hydracrylic acid, (3S)-3-Hydroxybutanoic acid, (S)-(+)-beta-Hydroxybutyric acid, (S)-(+)-Β-hydroxybutyric acid, (S)-beta-Hydroxybutanoic acid, (S)-Β-hydroxybutanoic acid, 3-Hydroxy-N-butyric acid, 3-Hydroxybutanoic acid, 3-Hydroxybutyric acid, L-beta-Hydroxybutyric acid, L-Β-hydroxybutyric acid, beta-Hydroxy-N-butyric acid, beta-Hydroxybutanoic acid, beta-Hydroxybutyric acid, Β-hydroxy-N-butyric acid, Β-hydroxybutanoic acid, Β-hydroxybutyric acid, (S)-3-Hydroxybutyric acid |
| Compound Name | (S)-3-hydroxybutyric acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.019550999999999763 |
| Inchi | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 |
| Smiles | C[C@@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Beta hydroxy acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients