Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023077
PROPERTIES
| NPAID | NPA023077 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Iturin A9 |
| FORMULA | C51H80N12O14 |
| MOLECULAR WEIGHT (Da) | 1085.2710 |
| ACCURATE MASS (Da) | 1084.5917 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. (KCB14S006) |
| InChIKey | ONHRJDBCTPGKLK-FNEGXTAJSA-N |
| InChI | InChI=1S/C51H80N12O14/c1-29(2)13-10-8-6-4-3-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)46(72)59-34(23-30-16-18-32(65)19-17-30)45(71)60-36(26-42(54)68)47(73)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)61-37(27-43(55)69)48(74)62-38(28-64)49(75)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,75)(H,57,70)(H,58,73)(H,59,72)(H,60,71)(H,61,76)(H,62,74)/t31-,33+,34-,35+,36-,37-,38+,39+/m1/s1 |
| SMILES | CC(C)CCCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Son, Sangkeun; Ko, Sung-Kyun; Jang, Mina; Kim, Jong Won; Kim, Gil Soo; Lee, Jae Kyoung; Jeon, Eun Soo; Futamura, Yushi; Ryoo, In-Ja; Lee, Jung-Sook; Oh, Hyuncheol; Hong, Young-Soo; Kim, Bo Yeon; Takahashi, Shunji; Osada, Hiroyuki; Jang, Jae-Hyuk; Ahn, Jong Seog New cyclic lipopeptides of the iturin class produced by saltern-derived Bacillus sp. KCB14S006 Marine Drugs 2016 14 (4) None. | ||
|---|---|---|---|
| DOI | 10.3390/md14040072 | PMID | 27049393 |
