Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025833
PROPERTIES
| NPAID | NPA025833 |
|---|---|
| CLUSTER ID | 7815 |
| NODE ID | 5325 |
| NAME | [des-Gly11]acyclolaxaphycin A |
| FORMULA | C59H97N11O15 |
| MOLECULAR WEIGHT (Da) | 1200.4870 |
| ACCURATE MASS (Da) | 1199.7166 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | torulosa |
| InChIKey | HPTJSPDQCNYHJA-CIYMGBEJSA-N |
| InChI | InChI=1S/C59H97N11O15/c1-11-15-17-22-38(60)30-47(74)61-41(23-25-71)50(75)62-40(14-4)58(83)70-32-39(73)31-46(70)55(80)63-42(24-26-72)51(76)65-45(29-37-20-18-16-19-21-37)52(77)64-43(27-33(5)6)53(78)67-49(36(10)13-3)57(82)68-48(35(9)12-2)56(81)66-44(28-34(7)8)54(79)69-59(84)85/h14,16,18-21,33-36,38-39,41-46,48-49,71-73H,11-13,15,17,22-32,60H2,1-10H3,(H,61,74)(H,62,75)(H,63,80)(H,64,77)(H,65,76)(H,66,81)(H,67,78)(H,68,82)(H,69,79)(H,84,85)/b40-14+/t35-,36-,38+,39+,41-,42-,43+,44-,45+,46-,48+,49-/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(=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 |
