2-Hydroxyhexanoic acid
PubChem CID: 99824
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| Compound Synonyms | 2-Hydroxyhexanoic acid, 6064-63-7, 2-hydroxycaproic acid, DL-2-Hydroxycaproic acid, DL-2-Hydroxyhexanoic acid, DL-alpha-Hydroxycaproic acid, 2-hydroxy-hexanoic acid, Hydroxycaproic acid, Hydroxyhexanoate, DL-2-hydroxy caproic acid, Hexanoic acid, 2-hydroxy-, L58MR7E927, EINECS 227-991-4, MFCD00004584, NSC-227903, CHEBI:86542, DTXSID90863686, (+/-)-2-HYDROXYCAPROIC ACID, DL-.ALPHA.-HYDROXYCAPROIC ACID, NSC 227903, 2-HYDROXYCAPROIC ACID, (+/-)-, Hexanoic acid, hydroxy-, 2-Hydroxy caproic acid, Dl-alpha-hydroxycaproicacid, Hydroxycaproate, Dl-alpha-hydroxycaproic acid,95, DL-Hydroxycaproate, Hydroxy-n-caproate, Hydroxyhexanoic acid, NSC227903, 2-Hydroxyhexanoicacid, DL-2-Hydroxycaproate, DL-2-Hydroxyhexanoate, DL-Hydroxycaproic acid, Hydroxy-n-caproic acid, alpha-hydroxycaproic acid, alpha-hydroxy caproic acid, 2-hydroxy-L-hexanoic acid, bmse000571, SCHEMBL28555, UNII-L58MR7E927, (RS)-2-hydroxy-hexanoic acid, 2-Hydroxyhexanoic acid, 98%, DTXCID10812272, CS-M0542, GAA06463, TBA20107, BBL100513, GEO-01510, LMFA01050011, s3323, STL554307, XH1541, AKOS005254527, SB85065, dl-2-Hydroxyhexanoic acidHydroxyhexanoate, HY-75954, LS-13182, PD054545, DB-229778, DB-393274, dl-2-Hydroxyhexanoic acidHydroxyhexanoic acid, NS00014674, C11377, EN300-183205, Q27159229, Z803065156, 227-991-4 |
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| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Description | 2-Hydroxycaproic acid is a branched-chain alpha-keto acid that have been reported in normal human blood (PMID: 7130306) and in normal amniotic fluid. (PMID: 7076774) It has been found that 2-Hydroxycaproic acid is the most significant metabolite found in the CSF of patients infected with Nocardia. Nocardia species is an uncommon cause of meningitis, and Nocardia meningitis has a clinical picture similar to that of tuberculous meningitis (PMID: 3818936) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxyhexanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C6H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NYHNVHGFPZAZGA-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 2-Hydroxycaproate, 2-Hydroxycaproic acid, 2-Hydroxyhexanoate, 2-Hydroxyhexanoic acid, DL-2-Hydroxycaproate, DL-2-Hydroxycaproic acid, DL-2-Hydroxyhexanoate, DL-2-Hydroxyhexanoic acid, dl-2-Hydroxyhexanoic acidHydroxyhexanoate, dl-2-Hydroxyhexanoic acidHydroxyhexanoic acid, DL-Hydroxycaproate, DL-Hydroxycaproic acid, Hydroxy-n-caproate, Hydroxy-n-caproic acid, Hydroxycaproate, Hydroxycaproic acid, Hydroxyhexanoate, Hydroxyhexanoic acid |
| Compound Name | 2-Hydroxyhexanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 132.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9056857999999999 |
| Inchi | InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9) |
| Smiles | CCCCC(C(=O)O)O |
| 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