Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019442
PROPERTIES
| NPAID | NPA019442 |
|---|---|
| CLUSTER ID | 3462 |
| NODE ID | 141 |
| NAME | Cepacidine A1 |
| FORMULA | C52H85N11O22 |
| MOLECULAR WEIGHT (Da) | 1216.3070 |
| ACCURATE MASS (Da) | 1215.5871 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | cepacia AF 2001 |
| InChIKey | AHNDNUVPXFPPIH-CWXOAVQGSA-N |
| InChI | InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-26(53)16-29(67)19-30(85-52-44(76)42(74)35(68)24-84-52)17-27-18-36(69)59-34(23-65)49(81)63-39(41(73)25-10-12-28(66)13-11-25)51(83)60-32(20-38(71)72)48(80)61-33(22-64)47(79)57-21-37(70)56-15-14-31(54)46(78)62-40(50(82)58-27)43(75)45(55)77/h10-13,26-27,29-35,39-44,52,64-68,73-76H,2-9,14-24,53-54H2,1H3,(H2,55,77)(H,56,70)(H,57,79)(H,58,82)(H,59,69)(H,60,83)(H,61,80)(H,62,78)(H,63,81)(H,71,72)/t26?,27?,29?,30?,31?,32?,33?,34?,35-,39?,40?,41?,42+,43?,44-,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)C(C(=O)N)O)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 |
