Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011095
PROPERTIES
| NPAID | NPA011095 |
|---|---|
| CLUSTER ID | 1494 |
| NODE ID | 1228 |
| NAME | Ohmyungsamycin A |
| FORMULA | C75H119N13O16 |
| MOLECULAR WEIGHT (Da) | 1458.8520 |
| ACCURATE MASS (Da) | 1457.8898 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | LPGQEQIUSHQVNJ-FNWLGHLBSA-N |
| InChI | InChI=1S/C75H119N13O16/c1-36(2)33-49-64(91)80-57(41(11)12)72(99)87(22)61(43(15)16)74(101)86(21)50(34-47-35-77-48-31-28-32-51(103-24)52(47)48)65(92)78-54(38(5)6)68(95)84-60(63(90)46-29-26-25-27-30-46)69(96)82-58(42(13)14)75(102)104-45(18)59(83-67(94)55(39(7)8)79-66(93)53(76-19)37(3)4)73(100)88(23)62(44(17)89)70(97)81-56(40(9)10)71(98)85(49)20/h25-32,35-45,49-50,53-63,76-77,89-90H,33-34H2,1-24H3,(H,78,92)(H,79,93)(H,80,91)(H,81,97)(H,82,96)(H,83,94)(H,84,95)/t44-,45-,49+,50+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)[C@@H](C2=CC=CC=C2)O)C(C)C)CC3=CNC4=C3C(=CC=C4)OC)C)C(C)C)C)C(C)C)CC(C)C)C)C(C)C)[C@@H](C)O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Um, Soohyun; Choi, Tae Joon; Kim, Heegyu; Kim, Byung Yong; Kim, Seong-Hwan; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan Ohmyungsamycins A and B: Cytotoxic and antimicrobial cyclic peptides produced by Streptomyces sp. from a volcanic island Journal of Organic Chemistry 2013 78 (24) 12321-12329. | ||
|---|---|---|---|
| DOI | 10.1021/jo401974g | PMID | 24266328 |
