Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000080450 | Gold | "MLS000863624-01!(4S,7S,10S,13S)-7-benzyl-13-[(4-hydroxyphenyl)methyl]-4,6,12-trimethyl-10-(2-methylpropyl)-3,6,9,12,15-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-2,5,8,11,14-pentone" |
| CCMSLIB00000478446 | Silver | Cycloaspeptide&A_120252 |
| CCMSLIB00000478489 | Silver | Cycloaspeptide&A_130056 |
| CCMSLIB00000478490 | Silver | Cycloaspeptide&A_130056 |
| CCMSLIB00000577615 | Gold | 3 |
COMPOUND NPA013961
PROPERTIES
| NPAID | NPA013961 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cycloaspeptide A |
| FORMULA | C36H43N5O6 |
| MOLECULAR WEIGHT (Da) | 641.7690 |
| ACCURATE MASS (Da) | 641.3213 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. (strain NE-45) |
| InChIKey | UPNQAUFZWGKHGZ-IAURBROLSA-N |
| InChI | InChI=1S/C36H43N5O6/c1-22(2)19-29-36(47)41(5)31(21-25-15-17-26(42)18-16-25)33(44)38-28-14-10-9-13-27(28)32(43)37-23(3)35(46)40(4)30(34(45)39-29)20-24-11-7-6-8-12-24/h6-18,22-23,29-31,42H,19-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45)/t23-,29-,30-,31-/m0/s1 |
| SMILES | C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)CC(C)C)CC4=CC=CC=C4)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kobayashi, R; Samejima, Y; Nakajima, S; Kawai, K; Udagawa, S Studies on fungal products. XI. Isolation and structures of novel cyclic pentapeptides from Aspergillus sp. NE-45 Chemical and Pharmaceutical Bulletin 1987 35 (4) 1347-1352. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.35.1347 | PMID | 3652287 |
