Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019658
PROPERTIES
NPAID | NPA019658 |
---|---|
CLUSTER ID | 6304 |
NODE ID | 4374 |
NAME | Cyclo[N-(Lys-Phe)-Orn-Val] |
FORMULA | C25H40N6O4 |
MOLECULAR WEIGHT (Da) | 488.6330 |
ACCURATE MASS (Da) | 488.3111 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Burkholderia |
ORIGIN SPECIES | cepacia |
InChIKey | NKNBNGMFQVMRAX-VFUGHAIPSA-N |
InChI | InChI=1S/C25H40N6O4/c1-16(2)21-25(35)31(20(12-8-14-27)23(33)30-21)24(34)19(15-17-9-4-3-5-10-17)29-22(32)18(28)11-6-7-13-26/h3-5,9-10,16,18-21H,6-8,11-15,26-28H2,1-2H3,(H,29,32)(H,30,33)/t18?,19?,20-,21+/m1/s1 |
SMILES | CC(C)[C@H]1C(=O)N([C@@H](C(=O)N1)CCCN)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)N |
ORIGINAL ISOLATION REFERENCE
CITATION | Pérez-Picaso, Lemuel; Rios, María Yolanda; Hernández, Ana Niurka; Martínez, Jorge 1H and13C assignments of cyclo[N-(Lys-Phe)-Orn-Val], a semicyclic imide tetrapeptide from Burkholderia cepacia Magnetic Resonance in Chemistry 2006 44 (10) 959-961. | ||
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DOI | 10.1002/mrc.1864 | PMID | 16826554 |