Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023067
PROPERTIES
| NPAID | NPA023067 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Ile+CO[Lys+Val+Hph+MeHty+MetO] |
| FORMULA | C45H67N7O10S |
| MOLECULAR WEIGHT (Da) | 898.1370 |
| ACCURATE MASS (Da) | 897.4670 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | CCHYAJPATWCUGC-XBTPWTBYSA-N |
| InChI | InChI=1S/C45H67N7O10S/c1-8-29(4)38(44(59)60)50-45(61)48-33-16-12-13-26-46-40(55)35(25-27-63(7)62)51(5)43(58)36(24-20-31-17-21-32(53)22-18-31)52(6)42(57)34(23-19-30-14-10-9-11-15-30)47-41(56)37(28(2)3)49-39(33)54/h9-11,14-15,17-18,21-22,28-29,33-38,53H,8,12-13,16,19-20,23-27H2,1-7H3,(H,46,55)(H,47,56)(H,49,54)(H,59,60)(H2,48,50,61)/t29-,33-,34-,35-,36-,37-,38-,63?/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@H]1CCCCNC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CCC2=CC=CC=C2)C)CCC3=CC=C(C=C3)O)C)CCS(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Spoof L; Błaszczyk A; Meriluoto J; Cegłowska M; Mazur-Marzec H Structures and Activity of New Anabaenopeptins Produced by Baltic Sea Cyanobacteria. Marine Drugs 2015 14 (1) 8. | ||
|---|---|---|---|
| DOI | 10.3390/md14010008 | PMID | 26729139 |
