Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005019
PROPERTIES
| NPAID | NPA005019 |
|---|---|
| CLUSTER ID | 2519 |
| NODE ID | 96 |
| NAME | Dictyonamide B |
| FORMULA | C69H118N12O20 |
| MOLECULAR WEIGHT (Da) | 1435.7670 |
| ACCURATE MASS (Da) | 1434.8585 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. (K063) |
| InChIKey | ZKRHKJXJSFWIBA-QKBVGYJDSA-N |
| InChI | InChI=1S/C69H118N12O20/c1-25-39(14)48(62(92)78(21)52(36(8)9)64(94)75(18)30-46(85)71-44-29-27-26-28-43(44)68(98)99)73-60(90)51(35(6)7)76(19)65(95)54(38(12)13)80(23)66(96)53(37(10)11)79(22)61(91)47(33(2)3)72-59(89)50(34(4)5)77(20)67(97)55(81(24)63(93)49(41(16)84)74-58(88)40(15)70)42(17)100-69(32-83)57(87)56(86)45(31-82)101-69/h26-29,33-42,45,47-57,82-84,86-87H,25,30-32,70H2,1-24H3,(H,71,85)(H,72,89)(H,73,90)(H,74,88)(H,98,99)/t39?,40-,41-,42-,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57-,69+/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[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)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 |
