Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004679298 | Bronze | Putative&orfamide&A |
| CCMSLIB00000577498 | Gold | 3 |
| CCMSLIB00012140942 | Gold | 4 |
| CCMSLIB00012140940 | Gold | 4 |
| CCMSLIB00012140944 | Gold | 4 |
| CCMSLIB00012140941 | Gold | 4 |
| CCMSLIB00012140939 | Gold | 4 |
| CCMSLIB00012140948 | Gold | 4 |
| CCMSLIB00012140943 | Gold | 4 |
| CCMSLIB00012140945 | Gold | 4 |
| CCMSLIB00012140946 | Gold | 4 |
| CCMSLIB00012140947 | Gold | 4 |
| CCMSLIB00012140949 | Gold | 4 |
| CCMSLIB00009980739 | Gold | 4 |
| CCMSLIB00009980737 | Gold | 4 |
| CCMSLIB00009980741 | Gold | 4 |
| CCMSLIB00009980738 | Gold | 4 |
| CCMSLIB00009980736 | Gold | 4 |
| CCMSLIB00009980740 | Gold | 4 |
| CCMSLIB00009980742 | Gold | 4 |
| CCMSLIB00009980743 | Gold | 4 |
| CCMSLIB00009980744 | Gold | 4 |
| CCMSLIB00009980745 | Gold | 4 |
| CCMSLIB00009980746 | Gold | 4 |
COMPOUND NPA001606
PROPERTIES
| NPAID | NPA001606 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Orfamide A |
| FORMULA | C64H114N10O17 |
| MOLECULAR WEIGHT (Da) | 1295.6690 |
| ACCURATE MASS (Da) | 1294.8363 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens Pf-5 |
| InChIKey | AFOLBAYDTRBYBA-OZXDDRKESA-N |
| InChI | InChI=1S/C64H114N10O17/c1-15-17-18-19-20-21-22-23-24-25-42(77)32-50(78)65-44(28-35(3)4)56(82)66-43(26-27-51(79)80)55(81)74-54-41(14)91-64(90)52(39(11)12)72-61(87)49(34-76)71-58(84)46(30-37(7)8)67-57(83)45(29-36(5)6)68-60(86)48(33-75)70-59(85)47(31-38(9)10)69-62(88)53(40(13)16-2)73-63(54)89/h35-49,52-54,75-77H,15-34H2,1-14H3,(H,65,78)(H,66,82)(H,67,83)(H,68,86)(H,69,88)(H,70,85)(H,71,84)(H,72,87)(H,73,89)(H,74,81)(H,79,80)/t40-,41+,42+,43+,44-,45-,46-,47+,48+,49+,52-,53+,54+/m0/s1 |
| SMILES | CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gross, Harald; Stockwell, Virginia O; Henkels, Marcella D; Nowak-Thompson, Brian; Loper, Joyce E; Gerwick, William H The genomisotopic approach: a systematic method to isolate products of orphan biosynthetic gene clusters Chemistry & Biology 2007 14 (1) 53. | ||
|---|---|---|---|
| DOI | 10.1016/j.chembiol.2006.11.007 | PMID | 17254952 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCCCCCCC(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)CC)CC(C)C)CO)CC(C)C)CC(C)C)CO)C(C)C)C)O | Gross, Harald; Stockwell, Virginia O; Henkels, Marcella D; Nowak-Thompson, Brian; Loper, Joyce E; Gerwick, William H The genomisotopic approach: a systematic method to isolate products of orphan biosynthetic gene clusters Chemistry & Biology 2007 14 (1) 53. DOI: 10.1016/j.chembiol.2006.11.007 PMID: 17254952 | ||
| 2 | CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C | Bando, Yuko; Hou, Yu; Seyfarth, Lydia; Probst, Jannik; Götze, Sebastian; Bogacz, Marta; Hellmich, Ute A; Stallforth, Pierre; Mittag, Maria; Arndt, Hans-Dieter Total Synthesis and Structure Correction of the Cyclic Lipodepsipeptide Orfamide A. Chemistry - A European Journal 2022 28 (20) e202104417. DOI: 10.1002/chem.202104417 PMID: 35199896 | ||
