Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026819
PROPERTIES
| NPAID | NPA026819 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | WBP-29479A1 |
| FORMULA | C72H112N18O16 |
| MOLECULAR WEIGHT (Da) | 1485.7980 |
| ACCURATE MASS (Da) | 1484.8504 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lysobacter |
| ORIGIN SPECIES | antibioticus |
| InChIKey | JNEZSAFXDDDKDT-RRCXPIHTSA-N |
| InChI | InChI=1S/C72H112N18O16/c1-40(2)19-15-22-46-36-56(92)88-60(42(5)6)69(104)84-50(26-17-32-79-72(75)76)65(100)87-54(39-91)63(98)81-38-57(93)90(9)55(34-44-20-11-10-12-21-44)68(103)85-52(33-41(3)4)67(102)82-49(25-16-31-78-71(73)74)64(99)83-51(28-29-58(94)95)66(101)89-61(43(7)8)70(105)86-53(62(97)77-30-18-27-59(96)106-46)35-45-37-80-48-24-14-13-23-47(45)48/h10-14,20-21,23-24,37,40-43,46,49-55,60-61,80,91H,15-19,22,25-36,38-39H2,1-9H3,(H,77,97)(H,81,98)(H,82,102)(H,83,99)(H,84,104)(H,85,103)(H,86,105)(H,87,100)(H,88,92)(H,89,101)(H,94,95)(H4,73,74,78)(H4,75,76,79)/t46-,49-,50-,51+,52+,53-,54+,55-,60+,61-/m1/s1 |
| SMILES | CC(C)CCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NCCCC(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sang, Moli; Wang, Haoxin; Shen, Yuemao; Rodrigues De Almeida, Nathalia; Conda-Sheridan, Martin; Li, Shanren; Li, Yaoyao; Du, Liangcheng Identification of an Anti-MRSA Cyclic Lipodepsipeptide, WBP-29479A1, by Genome Mining of Lysobacter antibioticus Organic Letters 2019 21 (16) 6432-6436. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b02333 | PMID | 31386380 |
