Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000071754 | Gold | 2 |
COMPOUND NPA009256
PROPERTIES
| NPAID | NPA009256 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin A |
| FORMULA | C46H72N10O12 |
| MOLECULAR WEIGHT (Da) | 957.1400 |
| ACCURATE MASS (Da) | 956.5331 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. PCC 7806 |
| InChIKey | XKZZUWLVOGBTLH-LGUYJGFTSA-N |
| InChI | InChI=1S/C46H72N10O12/c1-8-9-11-18-34(57)50-31(24-36(59)60)40(62)54-38-27(6)68-45(67)37(26(4)5)53-41(63)32(23-28-15-12-10-13-16-28)55(7)44(66)33(22-25(2)3)56-35(58)20-19-30(43(56)65)52-39(61)29(51-42(38)64)17-14-21-49-46(47)48/h10,12-13,15-16,25-27,29-33,35,37-38,58H,8-9,11,14,17-24H2,1-7H3,(H,50,57)(H,51,64)(H,52,61)(H,53,63)(H,54,62)(H,59,60)(H4,47,48,49)/t27-,29+,30+,31+,32+,33+,35-,37+,38+/m1/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCN=C(N)N)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Martin; Oberer; Ino; Konig; Busch; Weckesser Cyanopeptolins, new depsipeptides from the cyanobacterium Microcystis sp. PCC 7806 Journal of Antibiotics 1993 46 (10) 1550-1556. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1550 | PMID | 8244882 |
