Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021979
PROPERTIES
| NPAID | NPA021979 |
|---|---|
| CLUSTER ID | 5025 |
| NODE ID | 3600 |
| NAME | Caldoramide |
| FORMULA | C37H59N5O6 |
| MOLECULAR WEIGHT (Da) | 669.9080 |
| ACCURATE MASS (Da) | 669.4465 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | penicillata |
| InChIKey | MQACVRQXFMGXAV-VAJPBVADSA-N |
| InChI | InChI=1S/C37H59N5O6/c1-14-25(8)33(37(47)42-27(28(48-13)21-29(42)43)20-26-18-16-15-17-19-26)41(12)36(46)32(24(6)7)40(11)35(45)30(22(2)3)38-34(44)31(23(4)5)39(9)10/h15-19,21-25,27,30-33H,14,20H2,1-13H3,(H,38,44)/t25-,27-,30-,31-,32-,33-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N1[C@H](C(=CC1=O)OC)CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gunasekera, Sarath P.; Imperial, Lorelie; Garst, Christiana; Ratnayake, Ranjala; Dang, Long H.; Paul, Valerie J.; Luesch, Hendrik Caldoramide, a Modified Pentapeptide from the Marine Cyanobacterium Caldora penicillata Journal of Natural Products 2016 79 (7) 1867-1871. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00203 | PMID | 27380142 |
