Compounds
COMPOUND NPA031283
PROPERTIES
| NPAID | NPA031283 |
|---|---|
| CLUSTER ID | 36 |
| NODE ID | 35 |
| NAME | Squalene |
| FORMULA | C30H50 |
| MOLECULAR WEIGHT (Da) | 410.7300 |
| ACCURATE MASS (Da) | 410.3913 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | YYGNTYWPHWGJRM-AAJYLUCBSA-N |
| InChI | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | E. Gelpi, H. Schneider, J. Mann, J. Oró Hydrocarbons of geochemical significance in microscopic algae Phytochemistry 1970 9 (3) 603-612. | ||
|---|---|---|---|
| DOI | 10.1016/S0031-9422(00)85700-3 | PMID | - |
