Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577740 | Gold | 3 |
COMPOUND NPA012506
PROPERTIES
| NPAID | NPA012506 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Pitipeptolide B |
| FORMULA | C44H67N5O9 |
| MOLECULAR WEIGHT (Da) | 810.0460 |
| ACCURATE MASS (Da) | 809.4939 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | WXTNWSNJAHRKRT-XXMTWPQQSA-N |
| InChI | InChI=1S/C44H67N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h11,15,17-18,20-21,27-29,31-33,35-37H,1,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)O[C@H](C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N1)[C@@H](C)CC)CC3=CC=CC=C3)C)C(C)C)(C)C)CCCC=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luesch; Pangilinan; Yoshida; Moore; Paul Pitipeptolides A and B, new cyclodepsipeptides from the marine cyanobacterium Lyngbya majuscula Journal of Natural Products 2001 64 (3) 304-307. | ||
|---|---|---|---|
| DOI | 10.1021/np000456u | PMID | 11277744 |
