Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012052586 | Gold | 3 |
| CCMSLIB00005724308 | Gold | 3 |
| CCMSLIB00005435933 | Gold | 3!CCMSLIB00000218169 |
| CCMSLIB00006717988 | Gold | 3 |
| CCMSLIB00005755238 | Gold | 3 |
| CCMSLIB00005755242 | Gold | 3 |
| CCMSLIB00005729214 | Gold | 3 |
| CCMSLIB00005728871 | Gold | 3 |
| CCMSLIB00005728220 | Gold | 3 |
| CCMSLIB00005728024 | Gold | 3 |
| CCMSLIB00005728214 | Gold | 3 |
| CCMSLIB00010102442 | Gold | 3 |
| CCMSLIB00010102892 | Gold | 3 |
| CCMSLIB00010102893 | Gold | 3 |
| CCMSLIB00010102894 | Gold | 3 |
| CCMSLIB00010102895 | Gold | 3 |
| CCMSLIB00010126057 | Gold | 3 |
| CCMSLIB00010126507 | Gold | 3 |
| CCMSLIB00010126508 | Gold | 3 |
| CCMSLIB00010126509 | Gold | 3 |
| CCMSLIB00010126510 | Gold | 3 |
COMPOUND NPA024861
PROPERTIES
| NPAID | NPA024861 |
|---|---|
| CLUSTER ID | 7603 |
| NODE ID | 5207 |
| NAME | Ectoine |
| FORMULA | C6H10N2O2 |
| MOLECULAR WEIGHT (Da) | 142.1580 |
| ACCURATE MASS (Da) | 142.0742 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Ectothiorhodospira |
| ORIGIN SPECIES | halochloris strain DSM 1059 |
| InChIKey | WQXNXVUDBPYKBA-YFKPBYRVSA-N |
| InChI | InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| SMILES | CC1=NCC[C@H](N1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Galinski EA; Pfeiffer HP; Trüper HG 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid. A novel cyclic amino acid from halophilic phototrophic bacteria of the genus Ectothiorhodospira. European Journal of Biochemistry 1985 149 (1) 135-139. | ||
|---|---|---|---|
| DOI | 10.1111/j.1432-1033.1985.tb08903.x | PMID | 3838936 |
