Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002963
PROPERTIES
| NPAID | NPA002963 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | Not named |
| FORMULA | C51H93NO4 |
| MOLECULAR WEIGHT (Da) | 784.3080 |
| ACCURATE MASS (Da) | 783.7105 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nitrosomonas |
| ORIGIN SPECIES | europaea |
| InChIKey | LUMMUAKZXYAHPW-ZZBPEHDDSA-N |
| InChI | InChI=1S/C51H93NO4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-45(55)52-36-41(54)46(56)40(53)25-24-37(2)38-28-33-48(5)39(38)29-34-50(7)43(48)26-27-44-49(6)32-22-31-47(3,4)42(49)30-35-51(44,50)8/h37-44,46,53-54,56H,9-36H2,1-8H3,(H,52,55)/t37?,38-,39?,40-,41+,42+,43-,44-,46-,48+,49+,50-,51-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)NC[C@@H]([C@@H]([C@@H](CCC(C)[C@H]1CC[C@]2(C1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seemann, Myriam; Bisseret, Philippe; Tritz, Jean-Philippe; Hooper, Alan B.; Rohmer, Michel Novel bacterial triterpenoids of the hopane series from Nitrosomonas europaea and their significance for the formation of the C35 bacteriohopane skeleton Tetrahedron Letters 1999 40 (9) 1681-1684. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(99)00064-7 | PMID | - |
