Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007893
PROPERTIES
| NPAID | NPA007893 |
|---|---|
| CLUSTER ID | 333 |
| NODE ID | 302 |
| NAME | L-Leu-D-MeAsp(β)-L-Arg-Adda-D-Glu(γ)-Mdha-D-Ala-OH |
| FORMULA | C49H76N10O13 |
| MOLECULAR WEIGHT (Da) | 1013.2040 |
| ACCURATE MASS (Da) | 1012.5593 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nodularia |
| ORIGIN SPECIES | spumigena |
| InChIKey | VCIRRSHFOUSDPE-HOBRTJIKSA-N |
| InChI | InChI=1S/C49H76N10O13/c1-27(2)23-34(50)44(65)58-38(26-41(62)72-10)46(67)56-36(17-14-22-53-49(51)52)45(66)55-35(19-18-28(3)24-29(4)39(71-9)25-33-15-12-11-13-16-33)30(5)42(63)57-37(20-21-40(60)61)47(68)59(8)32(7)43(64)54-31(6)48(69)70/h11-13,15-16,18-19,24,27,29-31,34-39H,7,14,17,20-23,25-26,50H2,1-6,8-10H3,(H,54,64)(H,55,66)(H,56,67)(H,57,63)(H,58,65)(H,60,61)(H,69,70)(H4,51,52,53)/b19-18+,28-24+/t29-,30-,31-,34-,35+,36-,37+,38+,39-/m0/s1 |
| SMILES | C[C@@H](/C=C(\C)/C=C/[C@H]([C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N(C)C(=C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)OC)NC(=O)[C@H](CC(C)C)N)[C@H](CC1=CC=CC=C1)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, Byoung Wook; Namikoshi, Michio; Sun, Furong; Rinehart, Kenneth L.; Carmichael, Wayne W.; Kaup, Anne M.; Evans, William R.; Beasley, Val R. Isolation of linear peptides related to the hepatotoxins nodularin and microcystins Tetrahedron Letters 1993 34 (49) 7881-7884. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)61500-9 | PMID | - |
