Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033265
PROPERTIES
| NPAID | NPA033265 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Pseudovibriamide B1 |
| FORMULA | C51H73N13O16S |
| MOLECULAR WEIGHT (Da) | 1156.2870 |
| ACCURATE MASS (Da) | 1155.5019 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudovibrio |
| ORIGIN SPECIES | brasiliensis Ab134 |
| InChIKey | CQSGJHDKTNYHCG-CDSYVURASA-N |
| InChI | InChI=1S/C51H73N13O16S/c1-6-29(61-51(78)62-32(48(75)76)22-27-12-14-28(65)15-13-27)43(71)57-26(5)42(70)58-30(10-8-19-56-50(54)55)46(73)63-20-9-11-34(63)45-60-33(24-81-45)44(72)59-31(16-17-37(52)66)49(77)80-36(23-38(67)68)41-35(79-39(69)7-2)18-21-64(41)47(74)40(53)25(3)4/h6,12-15,24-26,30-32,34-36,40-41,65H,7-11,16-23,53H2,1-5H3,(H2,52,66)(H,57,71)(H,58,70)(H,59,72)(H,67,68)(H,75,76)(H4,54,55,56)(H2,61,62,78)/b29-6-/t26-,30-,31-,32-,34-,35?,36?,40-,41?/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)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 |
