Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003812
PROPERTIES
| NPAID | NPA003812 |
|---|---|
| CLUSTER ID | 2059 |
| NODE ID | 1648 |
| NAME | CDA4b |
| FORMULA | C67H80N14O26 |
| MOLECULAR WEIGHT (Da) | 1497.4490 |
| ACCURATE MASS (Da) | 1496.5368 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | coelicolor |
| InChIKey | XBPJBGYZBLYHLT-HFAZLTOXSA-N |
| InChI | InChI=1S/C67H80N14O26/c1-4-9-44-55(107-44)66(104)77-43(27-82)61(99)80-51-29(3)106-67(105)42(20-32-25-70-37-13-8-6-11-35(32)37)76-62(100)50(28(2)18-46(85)86)79-65(103)53(54(93)56(68)94)78-45(84)26-71-57(95)39(21-47(87)88)75-64(102)52(30-14-16-33(83)17-15-30)81-60(98)41(23-49(91)92)73-59(97)40(22-48(89)90)72-58(96)38(74-63(51)101)19-31-24-69-36-12-7-5-10-34(31)36/h5-8,10-17,24-25,28-29,38-44,50-55,69-70,82-83,93H,4,9,18-23,26-27H2,1-3H3,(H2,68,94)(H,71,95)(H,72,96)(H,73,97)(H,74,101)(H,75,102)(H,76,100)(H,77,104)(H,78,84)(H,79,103)(H,80,99)(H,81,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t28-,29-,38-,39+,40+,41+,42+,43+,44?,50+,51+,52-,53-,54+,55?/m1/s1 |
| SMILES | CCCC1C(O1)C(=O)N[C@@H](CO)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)CC3=CNC4=CC=CC=C43)CC(=O)O)CC(=O)O)C5=CC=C(C=C5)O)CC(=O)O)[C@@H](C(=O)N)O)[C@H](C)CC(=O)O)CC6=CNC7=CC=CC=C76)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kempter, Christoph; Kaiser, Dietmar; Haag, Sabine; Nicholson, Graeme; Gnau, Volker; Walk, Tilmann; Gierling, Karl Heinz; Decker, Heinrich; Zähner, Hans; Jung, Günther; others CDA: Calcium-Dependent Peptide Antibiotics from Streptomyces coelicolor A3 (2) Containing Unusual Residues Angewandte Chemie International Edition 1997 1997 (5) 498-501. | ||
|---|---|---|---|
| DOI | 10.1002/anie.199704981 | PMID | - |
