Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028765
PROPERTIES
| NPAID | NPA028765 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Gly1,D-Asp3,(E/Z)-Dhb7]MC-LHar |
| FORMULA | C48H78N10O12 |
| MOLECULAR WEIGHT (Da) | 987.2100 |
| ACCURATE MASS (Da) | 986.5801 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | JVRDKYPSZUARBP-RYDRMDOGSA-N |
| InChI | InChI=1S/C48H78N10O12/c1-8-32-43(63)52-26-41(61)55-36(22-27(2)3)45(65)58-37(47(68)69)25-40(60)54-34(16-12-13-21-51-48(49)50)44(64)56-33(30(6)42(62)57-35(46(66)67)19-20-39(59)53-32)18-17-28(4)23-29(5)38(70-7)24-31-14-10-9-11-15-31/h8,17-18,23,27,29-31,33-38H,9-16,19-22,24-26H2,1-7H3,(H,52,63)(H,53,59)(H,54,60)(H,55,61)(H,56,64)(H,57,62)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,28-23+,32-8?/t29-,30-,33-,34-,35+,36-,37+,38-/m0/s1 |
| SMILES | CC=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2CCCCC2)OC)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Puddick J; Prinsep MR; Wood SA; Cary SC; Hamilton DP; Holland PT Further characterization of glycine-containing microcystins from the McMurdo dry Valleys of Antarctica. Toxins 2015 7 (2) 493-515. | ||
|---|---|---|---|
| DOI | 10.3390/toxins7020493 | PMID | 25675414 |
