Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033267
PROPERTIES
| NPAID | NPA033267 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Pseudovibriamide B3 |
| FORMULA | C52H75N13O16S |
| MOLECULAR WEIGHT (Da) | 1170.3140 |
| ACCURATE MASS (Da) | 1169.5175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudovibrio |
| ORIGIN SPECIES | brasiliensis Ab134 |
| InChIKey | NJUVGYFCCIHENE-MAZMCXHVSA-N |
| InChI | InChI=1S/C52H75N13O16S/c1-6-31(62-52(79)63-34(49(76)77)23-28-12-14-29(66)15-13-28)44(72)58-27(5)43(71)59-32(10-8-19-57-51(55)56)48(75)64-20-9-11-36(64)46-61-35(25-82-46)45(73)60-33(16-17-39(54)67)50(78)81-38(24-40(68)69)42-37(80-41(70)7-2)18-21-65(42)47(74)30(53)22-26(3)4/h6,12-15,25-27,30,32-34,36-38,42,66H,7-11,16-24,53H2,1-5H3,(H2,54,67)(H,58,72)(H,59,71)(H,60,73)(H,68,69)(H,76,77)(H4,55,56,57)(H2,62,63,79)/b31-6-/t27-,30-,32-,33-,34-,36-,37?,38?,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)CC(C)C)=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 |
