Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027541
PROPERTIES
| NPAID | NPA027541 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Asp3,ADMAdda5]MC-LHar |
| FORMULA | C50H74N10O13 |
| MOLECULAR WEIGHT (Da) | 1023.1990 |
| ACCURATE MASS (Da) | 1022.5437 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. 152 |
| InChIKey | WJEBNDAWEAQNLR-KDMHZOGOSA-N |
| InChI | InChI=1S/C50H74N10O13/c1-27(2)23-38-47(68)59-39(49(71)72)26-41(62)55-36(17-13-14-22-53-50(51)52)46(67)56-35(19-18-28(3)24-29(4)40(73-33(8)61)25-34-15-11-10-12-16-34)30(5)43(64)57-37(48(69)70)20-21-42(63)60(9)32(7)45(66)54-31(6)44(65)58-38/h10-12,15-16,18-19,24,27,29-31,35-40H,7,13-14,17,20-23,25-26H2,1-6,8-9H3,(H,54,66)(H,55,62)(H,56,67)(H,57,64)(H,58,65)(H,59,68)(H,69,70)(H,71,72)(H4,51,52,53)/b19-18+,28-24+/t29-,30-,31+,35-,36-,37+,38-,39+,40-/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(C)=O)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sivonen, K; Namikoshi, M; Evans, W.R; Fardig, M; Carmichael, W.W; Rinehart K.L. Three new microcystins, cyclic heptapeptide hepatotoxins, from Nostoc sp. strain 152 Chemical Research in Toxicology 1992 5 (4) 464-469. | ||
|---|---|---|---|
| DOI | 10.1021/tx00028a003 | PMID | - |
