Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033258
PROPERTIES
| NPAID | NPA033258 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Pseudovibriamide B4 |
| FORMULA | C50H71N13O16S |
| MOLECULAR WEIGHT (Da) | 1142.2600 |
| ACCURATE MASS (Da) | 1141.4862 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudovibrio |
| ORIGIN SPECIES | brasiliensis Ab134 |
| InChIKey | VUSVMOUTFWGYSU-LNFOJLHHSA-N |
| InChI | InChI=1S/C50H71N13O16S/c1-5-28(60-50(77)61-31(47(74)75)21-26-11-13-27(64)14-12-26)42(70)56-23-37(66)57-29(9-7-18-55-49(53)54)45(72)62-19-8-10-33(62)44-59-32(24-80-44)43(71)58-30(15-16-36(51)65)48(76)79-35(22-38(67)68)41-34(78-39(69)6-2)17-20-63(41)46(73)40(52)25(3)4/h5,11-14,24-25,29-31,33-35,40-41,64H,6-10,15-23,52H2,1-4H3,(H2,51,65)(H,56,70)(H,57,66)(H,58,71)(H,67,68)(H,74,75)(H4,53,54,55)(H2,60,61,77)/b28-5-/t29-,30-,31-,33-,34?,35?,40-,41?/m0/s1 |
| SMILES | C/C=C(\NC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)C(=O)NCC(=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 |
