Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006679092 | Gold | 3 |
| CCMSLIB00006679590 | Gold | 3 |
| CCMSLIB00006679613 | Gold | 3 |
| CCMSLIB00006679675 | Gold | 3 |
| CCMSLIB00000565716 | Bronze | MoNA:2271843&2-hydroxy-4-methyl-delta-Valerate |
| CCMSLIB00000565771 | Bronze | MoNA:2277907&2-hydroxy-4-methyl-delta-Valerate |
| CCMSLIB00000565663 | Bronze | MoNA:2272842&2-hydroxy-4-methyl-delta-Valerate |
| CCMSLIB00000219169 | Bronze | ReSpect:PS098307&2-Hydroxyisocaproic&acid|2-Hydroxyisocaproate|2-Hydroxy-4-methylvaleric&acid|leucic&acid|alpha-hydroxyisocaproic&acid |
| CCMSLIB00000219171 | Bronze | ReSpect:PS098308&2-Hydroxyisocaproic&acid|2-Hydroxyisocaproate|2-Hydroxy-4-methylvaleric&acid|leucic&acid|alpha-hydroxyisocaproic&acid |
| CCMSLIB00000222517 | Bronze | ReSpect:PT209830&2-Hydroxyisocaproic&acid|2-Hydroxyisocaproate|2-Hydroxy-4-methylvaleric&acid|leucic&acid|alpha-hydroxyisocaproic&acid|(2R)-2-hydroxy-4-methylpentanoic&acid |
| CCMSLIB00000425950 | Bronze | HMDB:HMDB00665-910&Leucinic&acid |
| CCMSLIB00000425964 | Bronze | HMDB:HMDB00746-1062&Hydroxyisocaproic&acid |
| CCMSLIB00000425978 | Bronze | HMDB:HMDB00746-1064&Hydroxyisocaproic&acid |
| CCMSLIB00000426001 | Bronze | HMDB:HMDB00665-911&Leucinic&acid |
| CCMSLIB00000426358 | Bronze | HMDB:HMDB00746-1063&Hydroxyisocaproic&acid |
| CCMSLIB00000426468 | Bronze | HMDB:HMDB00665-909&Leucinic&acid |
| CCMSLIB00005728674 | Gold | 3 |
| CCMSLIB00005729637 | Gold | 3 |
| CCMSLIB00005728004 | Gold | 3 |
| CCMSLIB00005728323 | Gold | 3 |
| CCMSLIB00005728654 | Gold | 3 |
| CCMSLIB00005748938 | Gold | 3 |
| CCMSLIB00005759857 | Gold | 3 |
| CCMSLIB00005757333 | Gold | 3 |
| CCMSLIB00005758462 | Gold | 3 |
COMPOUND NPA011422
PROPERTIES
| NPAID | NPA011422 |
|---|---|
| CLUSTER ID | 4413 |
| NODE ID | 3241 |
| NAME | α-hydroxyisocaproic acid |
| FORMULA | C6H12O3 |
| MOLECULAR WEIGHT (Da) | 132.1590 |
| ACCURATE MASS (Da) | 132.0786 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lactobacillus |
| ORIGIN SPECIES | casei |
| InChIKey | LVRFTAZAXQPQHI-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) |
| SMILES | CC(C)CC(C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Camien, Merrill N.; Fowler, Audree V.; Dunn, Max S. Production of α-hydroxy fatty acids by two strains of Lactobacillus casei Archives of Biochemistry and Biophysics 1959 83 (2) 408-418. | ||
|---|---|---|---|
| DOI | 10.1016/0003-9861(59)90049-9 | PMID | - |
