Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019638
PROPERTIES
| NPAID | NPA019638 |
|---|---|
| CLUSTER ID | 2519 |
| NODE ID | 96 |
| NAME | Dictyonamide A |
| FORMULA | C63H108N12O15 |
| MOLECULAR WEIGHT (Da) | 1273.6260 |
| ACCURATE MASS (Da) | 1272.8057 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. (K063) |
| InChIKey | OFMFFQPVZOXNDZ-ZJXXRDISSA-N |
| InChI | InChI=1S/C63H108N12O15/c1-25-37(14)45(57(83)72(21)49(34(8)9)59(85)69(18)30-43(78)65-42-29-27-26-28-41(42)63(89)90)67-55(81)48(33(6)7)70(19)60(86)51(36(12)13)74(23)61(87)50(35(10)11)73(22)56(82)44(31(2)3)66-54(80)47(32(4)5)71(20)62(88)52(40(17)77)75(24)58(84)46(39(16)76)68-53(79)38(15)64/h26-29,31-40,44-52,76-77H,25,30,64H2,1-24H3,(H,65,78)(H,66,80)(H,67,81)(H,68,79)(H,89,90)/t37?,38-,39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 |
| SMILES | CCC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)CC(=O)NC1=CC=CC=C1C(=O)O)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)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(=O)[C@H]([C@H](C)O)N(C)C(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Komatsu, Kazusei; Shigemori, Hideyuki; Kobayashi, Jun'ichi Dictyonamides A and B, New Peptides from Marine-Derived Fungus Journal of Organic Chemistry 2001 66 (18) 6189-6192. | ||
|---|---|---|---|
| DOI | 10.1021/jo0156767 | PMID | 11529752 |
