Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011126
PROPERTIES
| NPAID | NPA011126 |
|---|---|
| CLUSTER ID | 3462 |
| NODE ID | 141 |
| NAME | Cepacidine A2 |
| FORMULA | C52H85N11O21 |
| MOLECULAR WEIGHT (Da) | 1200.3080 |
| ACCURATE MASS (Da) | 1199.5921 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | cepacia AF 2001 |
| InChIKey | HWQREZWVXGVHJC-PBLGGKLNSA-N |
| InChI | InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-27(53)16-30(67)19-31(84-52-45(76)44(75)37(68)25-83-52)17-28-18-39(70)59-36(24-65)50(81)63-42(43(74)26-10-12-29(66)13-11-26)51(82)61-34(21-41(72)73)49(80)62-35(23-64)47(78)57-22-40(71)56-15-14-32(54)46(77)60-33(20-38(55)69)48(79)58-28/h10-13,27-28,30-37,42-45,52,64-68,74-76H,2-9,14-25,53-54H2,1H3,(H2,55,69)(H,56,71)(H,57,78)(H,58,79)(H,59,70)(H,60,77)(H,61,82)(H,62,80)(H,63,81)(H,72,73)/t27?,28?,30?,31?,32?,33?,34?,35?,36?,37-,42?,43?,44+,45-,52?/m1/s1 |
| SMILES | CCCCCCCCCC(CC(CC(CC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCCC(C(=O)NC(C(=O)N1)CC(=O)N)N)CO)CC(=O)O)C(C2=CC=C(C=C2)O)O)CO)OC3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lee; Kim; Hyun; Suh; Yon; Lim Cepacidine A, a novel antifungal antibiotic produced by Pseudomonas cepacia - I. Taxonomy, production, isolation and biological activity Journal of Antibiotics 1994 47 (12) 1402-1405. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.1402 | PMID | 7531193 |
