Compounds
COMPOUND NPA006607
PROPERTIES
| NPAID | NPA006607 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Leu7-Surfactin |
| FORMULA | C53H93N7O13 |
| MOLECULAR WEIGHT (Da) | 1036.3630 |
| ACCURATE MASS (Da) | 1035.6831 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | mojavensis RRC 101 |
| InChIKey | NJGWOFRZMQRKHT-WGVNQGGSSA-N |
| InChI | InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 |
| SMILES | CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kameda, Y; Oira, S; Matsui, K; Kanatomo, S; Hase, T Antitumor activity of bacillus natto. V. Isolation and characterization of surfactin in the culture medium of Bacillus natto KMD 2311 Chemical and Pharmaceutical Bulletin 1974 22 (4) 938-944. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.22.938 | PMID | 4473150 |
