Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025832
PROPERTIES
| NPAID | NPA025832 |
|---|---|
| CLUSTER ID | 7815 |
| NODE ID | 5325 |
| NAME | Acyclolaxaphycin A |
| FORMULA | C60H99N11O15 |
| MOLECULAR WEIGHT (Da) | 1214.5140 |
| ACCURATE MASS (Da) | 1213.7322 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | torulosa |
| InChIKey | WSDZDIHEDAEEBI-NZVCJXAPSA-N |
| InChI | InChI=1S/C60H99N11O15/c1-11-15-17-22-39(61)30-48(75)63-42(23-25-72)53(79)64-41(14-4)60(86)71-33-40(74)31-47(71)57(83)65-43(24-26-73)54(80)67-46(29-38-20-18-16-19-21-38)55(81)66-45(28-35(7)8)56(82)69-51(37(10)13-3)59(85)70-50(36(9)12-2)58(84)68-44(27-34(5)6)52(78)62-32-49(76)77/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33,61H2,1-10H3,(H,62,78)(H,63,75)(H,64,79)(H,65,83)(H,66,81)(H,67,80)(H,68,84)(H,69,82)(H,70,85)(H,76,77)/b41-14+/t36-,37-,39+,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1 |
| SMILES | C/C=C(/NC(=O)[C@H](CCO)NC(=O)C[C@H](N)CCCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCO)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)CC |
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 |
