Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023076
PROPERTIES
| NPAID | NPA023076 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Iturin F2 |
| FORMULA | C51H80N12O15 |
| MOLECULAR WEIGHT (Da) | 1101.2700 |
| ACCURATE MASS (Da) | 1100.5866 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. (KCB14S006) |
| InChIKey | XJPJPGINMPTJPZ-QIGPMZCISA-N |
| InChI | InChI=1S/C51H80N12O15/c1-3-28(2)12-10-8-6-4-5-7-9-11-13-30-21-44(71)57-35(23-41(53)68)46(73)59-34(20-29-14-16-31(65)17-15-29)45(72)60-36(24-42(54)69)47(74)58-33(18-19-40(52)67)51(78)63-26-32(66)22-39(63)50(77)61-37(25-43(55)70)48(75)62-38(27-64)49(76)56-30/h14-17,28,30,32-39,64-66H,3-13,18-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H2,55,70)(H,56,76)(H,57,71)(H,58,74)(H,59,73)(H,60,72)(H,61,77)(H,62,75)/t28?,30-,32-,33+,34-,35+,36-,37-,38+,39+/m1/s1 |
| SMILES | CCC(C)CCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)O)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 |
