Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003524
PROPERTIES
| NPAID | NPA003524 |
|---|---|
| CLUSTER ID | 829 |
| NODE ID | 141 |
| NAME | Plusbacin A1 |
| FORMULA | C48H79N11O20 |
| MOLECULAR WEIGHT (Da) | 1130.2170 |
| ACCURATE MASS (Da) | 1129.5503 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | AMBMNVMTAJAUOI-IUNGFNNNSA-N |
| InChI | InChI=1S/C48H79N11O20/c1-4-5-6-7-8-9-10-11-12-14-25-21-30(64)55-31(24(3)61)39(68)52-23(2)43(72)58-19-16-28(62)34(58)41(70)53-26(15-13-18-51-48(49)50)38(67)56-32(36(65)45(74)75)40(69)54-27(22-60)44(73)59-20-17-29(63)35(59)42(71)57-33(47(78)79-25)37(66)46(76)77/h23-29,31-37,60-63,65-66H,4-22H2,1-3H3,(H,52,68)(H,53,70)(H,54,69)(H,55,64)(H,56,67)(H,57,71)(H,74,75)(H,76,77)(H4,49,50,51)/t23-,24-,25?,26+,27-,28-,29-,31-,32-,33+,34+,35+,36-,37+/m1/s1 |
| SMILES | CCCCCCCCCCCC1CC(=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 |
