Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016251
PROPERTIES
| NPAID | NPA016251 |
|---|---|
| CLUSTER ID | 829 |
| NODE ID | 141 |
| NAME | Plusbacin A2 |
| FORMULA | C49H81N11O20 |
| MOLECULAR WEIGHT (Da) | 1144.2440 |
| ACCURATE MASS (Da) | 1143.5659 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | KDBXJRLNARFRRV-OFDBHDDTSA-N |
| InChI | InChI=1S/C49H81N11O20/c1-23(2)13-10-8-6-5-7-9-11-14-26-21-31(65)56-32(25(4)62)40(69)53-24(3)44(73)59-19-16-29(63)35(59)42(71)54-27(15-12-18-52-49(50)51)39(68)57-33(37(66)46(75)76)41(70)55-28(22-61)45(74)60-20-17-30(64)36(60)43(72)58-34(48(79)80-26)38(67)47(77)78/h23-30,32-38,61-64,66-67H,5-22H2,1-4H3,(H,53,69)(H,54,71)(H,55,70)(H,56,65)(H,57,68)(H,58,72)(H,75,76)(H,77,78)(H4,50,51,52)/t24-,25-,26?,27+,28-,29-,30-,32-,33-,34+,35+,36+,37-,38+/m1/s1 |
| SMILES | CC(C)CCCCCCCCCC1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N2CC[C@@H](O)[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@@H](O)C(=O)O)C(=O)N[C@H](CO)C(=O)N2CC[C@@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)C(=O)O)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shoji, J; Hinoo, H; Katayama, T; Nakagawa, Y; Ikenishi, Y; Iwatani, K; Yoshida, T Structures of new peptide antibiotics, plusbacins A1-A4 and B1-B4. Journal of Antibiotics 1992 45 (6) 824-831. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.824 | PMID | 1500346 |
