Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478455 | Silver | Aculeacin&A_130020 |
COMPOUND NPA021131
PROPERTIES
| NPAID | NPA021131 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Aculeacin A |
| FORMULA | C50H81N7O16 |
| MOLECULAR WEIGHT (Da) | 1036.2310 |
| ACCURATE MASS (Da) | 1035.5740 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | aculeatus M-4214 |
| InChIKey | YKPHLXGEPNYRPY-ZSOOBDFRSA-N |
| InChI | InChI=1S/C50H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(63)51-33-24-35(62)46(69)55-48(71)40-41(64)27(2)25-57(40)50(73)38(29(4)59)53-47(70)39(43(66)42(65)30-19-21-31(60)22-20-30)54-45(68)34-23-32(61)26-56(34)49(72)37(28(3)58)52-44(33)67/h19-22,27-29,32-35,37-43,46,58-62,64-66,69H,5-18,23-26H2,1-4H3,(H,51,63)(H,52,67)(H,53,70)(H,54,68)(H,55,71)/t27-,28-,29-,32+,33-,34+,35-,37-,38+,39-,40-,41-,42-,43+,46+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@H]([C@@H](NC(=O)[C@H]2[C@@H]([C@@H](CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@@H](C4=CC=C(C=C4)O)O)O)[C@@H](C)O)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mizuno K; Yagi A; Satoi S; Takada M; Hayashi M Studies on aculeacin. I. Isolation and characterization of aculeacin A. Journal of Antibiotics 1977 30 (4) 297-302. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.30.297 | PMID | 324959 |
