Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033266
PROPERTIES
| NPAID | NPA033266 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Pseudovibriamide B2 |
| FORMULA | C52H75N13O16S |
| MOLECULAR WEIGHT (Da) | 1170.3140 |
| ACCURATE MASS (Da) | 1169.5175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudovibrio |
| ORIGIN SPECIES | brasiliensis Ab134 |
| InChIKey | ZFUKGBHZYCUJKU-FKLDRJFQSA-N |
| InChI | InChI=1S/C52H75N13O16S/c1-6-26(4)41(54)48(75)65-22-19-36(80-40(70)8-3)42(65)37(24-39(68)69)81-50(78)32(17-18-38(53)67)60-45(73)34-25-82-46(61-34)35-12-10-21-64(35)47(74)31(11-9-20-57-51(55)56)59-43(71)27(5)58-44(72)30(7-2)62-52(79)63-33(49(76)77)23-28-13-15-29(66)16-14-28/h7,13-16,25-27,31-33,35-37,41-42,66H,6,8-12,17-24,54H2,1-5H3,(H2,53,67)(H,58,72)(H,59,71)(H,60,73)(H,68,69)(H,76,77)(H4,55,56,57)(H2,62,63,79)/b30-7-/t26?,27-,31-,32-,33-,35-,36?,37?,41-,42?/m0/s1 |
| SMILES | C/C=C(\NC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(C(=O)N[C@@H](CCC(N)=O)C(=O)OC(CC(=O)O)C2C(OC(=O)CC)CCN2C(=O)[C@@H](N)C(C)CC)=CS1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ióca, Laura P; Dai, Yitao; Kunakom, Sylvia; Diaz-Espinosa, Jennifer; Krunic, Aleksej; Crnkovic, Camila M; Orjala, Jimmy; Sanchez, Laura M; Ferreira, Antonio G; Berlinck, Roberto G S; Eustáquio, Alessandra S A Family of Nonribosomal Peptides Modulate Collective Behavior in Pseudovibrio Bacteria Isolated from Marine Sponges*. Angewandte Chemie International Edition 2021 60 (29) 15891-15898. | ||
|---|---|---|---|
| DOI | 10.1002/anie.202017320 | PMID | 33961724 |
