Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027518
PROPERTIES
| NPAID | NPA027518 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D‐MeO-Glu6]MC‐YR |
| FORMULA | C53H74N10O13 |
| MOLECULAR WEIGHT (Da) | 1059.2320 |
| ACCURATE MASS (Da) | 1058.5437 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | SVUNNHQOHLLNGA-OCQZQFOGSA-N |
| InChI | InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)OC)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Niedermeyer TH; Daily A; Swiatecka-Hagenbruch M; Moscow JA Selectivity and potency of microcystin congeners against OATP1B1 and OATP1B3 expressing cancer cells. PLoS One 2014 9 (3) e91476. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pone.0091476 | PMID | 24614281 |
