Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025834
PROPERTIES
| NPAID | NPA025834 |
|---|---|
| CLUSTER ID | 7843 |
| NODE ID | 5350 |
| NAME | [des-(Leu10-Gly11)]acyclolaxaphycin A |
| FORMULA | C65H109N11O15 |
| MOLECULAR WEIGHT (Da) | 1284.6490 |
| ACCURATE MASS (Da) | 1283.8105 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | torulosa |
| InChIKey | OMMIGKCKEIRSPW-FUMFDTNBSA-N |
| InChI | InChI=1S/C65H109N11O15/c1-13-18-20-25-43(66)33-53(80)68-47(26-28-77)57(82)69-46(17-5)64(89)76-36-44(79)34-52(76)61(86)70-48(27-29-78)58(83)72-51(32-42-23-21-19-22-24-42)59(84)71-50(31-38(8)9)60(85)74-55(41(12)16-4)63(88)75-54(40(11)15-3)62(87)73-49(30-37(6)7)56(81)67-35-45(65(90)91)39(10)14-2/h17,19,21-24,37-41,43-45,47-52,54-55,77-79H,13-16,18,20,25-36,66H2,1-12H3,(H,67,81)(H,68,80)(H,69,82)(H,70,86)(H,71,84)(H,72,83)(H,73,87)(H,74,85)(H,75,88)(H,90,91)/b46-17+/t39-,40-,41-,43+,44+,45+,47-,48-,49-,50+,51+,52-,54+,55-/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)NC[C@@H](C(=O)O)[C@@H](C)CC)[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 |
