Compounds
COMPOUND NPA006287
PROPERTIES
| NPAID | NPA006287 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | [Leu-7]surfactin |
| FORMULA | C52H91N7O13 |
| MOLECULAR WEIGHT (Da) | 1022.3360 |
| ACCURATE MASS (Da) | 1021.6675 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtilis natto |
| InChIKey | DDULCZLFAKVKJB-DZESRJJCSA-N |
| InChI | InChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35?,36-,37-,38+,39+,40-,41-,45-/m0/s1 |
| SMILES | CC(C)CCCCCCCCC1CC(=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 | Itokawa, H; Miyashita, T; Morita, H; Takeya, K; Hirano, T; Homma, M; Oka, K Structural and conformational studies of [Ile7] and [Leu7]surfactins from Bacillus subtilis natto Chemical and Pharmaceutical Bulletin 1994 42 (3) 604-607. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.42.604 | PMID | 8004708 |
