Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005862
PROPERTIES
| NPAID | NPA005862 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | (ADMAdda5)microcystin-LHar |
| FORMULA | C51H76N10O13 |
| MOLECULAR WEIGHT (Da) | 1037.2260 |
| ACCURATE MASS (Da) | 1036.5593 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. strain 152 |
| InChIKey | HSOIUAGRQAPKJZ-PMZUZRGZSA-N |
| InChI | InChI=1S/C51H76N10O13/c1-27(2)24-39-48(69)60-42(50(72)73)31(6)44(65)57-37(18-14-15-23-54-51(52)53)47(68)56-36(20-19-28(3)25-29(4)40(74-34(9)62)26-35-16-12-11-13-17-35)30(5)43(64)58-38(49(70)71)21-22-41(63)61(10)33(8)46(67)55-32(7)45(66)59-39/h11-13,16-17,19-20,25,27,29-32,36-40,42H,8,14-15,18,21-24,26H2,1-7,9-10H3,(H,55,67)(H,56,68)(H,57,65)(H,58,64)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-19+,28-25+/t29-,30-,31-,32+,36-,37-,38+,39-,40-,42+/m0/s1 |
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(=O)C)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Namikoshi, Michio; Rinehart, Kenneth L.; Sakai, Ryuichi; Sivonen, Kaarina; Carmichael, Wayne. W. Structures of Three New Cyclic Heptapeptide Hepatotoxins Produced by the Cyanobacterium (Blue-Green Alga) Nostoc sp. Strain 152 Journal of Organic Chemistry 1990 55 (25) 6135-6139. | ||
|---|---|---|---|
| DOI | 10.1021/jo00312a019 | PMID | - |
