Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027524
PROPERTIES
| NPAID | NPA027524 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Gly1,D-Asp3]MC-RHar |
| FORMULA | C48H73N13O12 |
| MOLECULAR WEIGHT (Da) | 1024.1910 |
| ACCURATE MASS (Da) | 1023.5502 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | OFONZIYCWCBBSK-QTEMMPDJSA-N |
| InChI | InChI=1S/C48H73N13O12/c1-27(23-28(2)37(73-6)24-31-13-8-7-9-14-31)17-18-32-29(3)41(65)59-35(45(69)70)19-20-40(64)61(5)30(4)42(66)55-26-39(63)57-34(16-12-22-54-48(51)52)44(68)60-36(46(71)72)25-38(62)56-33(43(67)58-32)15-10-11-21-53-47(49)50/h7-9,13-14,17-18,23,28-29,32-37H,4,10-12,15-16,19-22,24-26H2,1-3,5-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,27-23+/t28-,29-,32-,33-,34-,35+,36+,37-/m0/s1 |
| SMILES | C=C1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)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@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wood S.A, Mountfort D, Selwood A.I, Holland P.T, Puddick J, Cary S.C. Widespread Distribution and Identification of Eight Novel Microcystins in Antarctic Cyanobacterial Mats Applied and Environmental Microbiology 2008 74 (23) 7243-7251. | ||
|---|---|---|---|
| DOI | 10.1128/AEM.01243-08 | PMID | - |
