Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025836
PROPERTIES
| NPAID | NPA025836 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | [D-Val9]laxaphycin A |
| FORMULA | C59H95N11O14 |
| MOLECULAR WEIGHT (Da) | 1182.4720 |
| ACCURATE MASS (Da) | 1181.7060 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | torulosa |
| InChIKey | JDIQJPVBGVPFRY-XJEZQSFJSA-N |
| InChI | InChI=1S/C59H95N11O14/c1-11-14-16-21-38-29-47(74)62-41(22-24-71)52(77)63-40(13-3)59(84)70-32-39(73)30-46(70)56(81)64-42(23-25-72)53(78)66-45(28-37-19-17-15-18-20-37)54(79)65-43(26-33(4)5)55(80)68-50(35(8)9)58(83)69-49(34(6)7)57(82)67-44(27-36(10)12-2)51(76)60-31-48(75)61-38/h13,15,17-20,33-36,38-39,41-46,49-50,71-73H,11-12,14,16,21-32H2,1-10H3,(H,60,76)(H,61,75)(H,62,74)(H,63,77)(H,64,81)(H,65,79)(H,66,78)(H,67,82)(H,68,80)(H,69,83)/b40-13+/t36?,38-,39-,41+,42+,43-,44+,45-,46+,49-,50+/m1/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CCO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@H](CC(C)CC)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bornancin, Louis; Alonso, Eva; Alvariño, Rebeca; Inguimbert, Nicolas; Bonnard, Isabelle; Botana, Luis M.; Banaigs, Bernard Structure and biological evaluation of new cyclic and acyclic laxaphycin-A type peptides Bioorganic and Medicinal Chemistry 2019 27 (10) 1966-1980. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2019.03.046 | PMID | 30929947 |
