Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002531
PROPERTIES
| NPAID | NPA002531 |
|---|---|
| CLUSTER ID | 1494 |
| NODE ID | 1228 |
| NAME | Ohmyungsamycin B |
| FORMULA | C76H121N13O16 |
| MOLECULAR WEIGHT (Da) | 1472.8790 |
| ACCURATE MASS (Da) | 1471.9054 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | MVOMOLZWPIYIMF-CFVNLOTESA-N |
| InChI | InChI=1S/C76H121N13O16/c1-25-44(16)59(83-67(94)54(77-19)38(4)5)69(96)84-60-46(18)105-76(103)58(42(12)13)82-70(97)61(64(91)47-30-27-26-28-31-47)85-68(95)55(39(6)7)79-66(93)51(35-48-36-78-49-32-29-33-52(104-24)53(48)49)87(21)75(102)62(43(14)15)88(22)73(100)57(41(10)11)80-65(92)50(34-37(2)3)86(20)72(99)56(40(8)9)81-71(98)63(45(17)90)89(23)74(60)101/h26-33,36-46,50-51,54-64,77-78,90-91H,25,34-35H2,1-24H3,(H,79,93)(H,80,92)(H,81,98)(H,82,97)(H,83,94)(H,84,96)(H,85,95)/t44-,45-,46-,50+,51+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-/m1/s1 |
| SMILES | CC[C@@H](C)[C@H](NC(=O)[C@@H](NC)C(C)C)C(=O)N[C@@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CNC3=C2C(OC)=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](O)C2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C |
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 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | 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)N(C)C | 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 | ||
| 2 | CC[C@@H](C)[C@H](NC(=O)[C@@H](NC)C(C)C)C(=O)N[C@@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CNC3=C2C(OC)=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](O)C2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C | Hur, Joonseong; Jang, Jaebong; Sim, Jaehoon; Son, Woo Sung; Ahn, Hee-Chul; Kim, Tae Sung; Shin, Yern-Hyerk; Lim, Changjin; Lee, Seungbeom; An, Hongchan; Kim, Seok-Ho; Oh, Dong-Chan; Jo, Eun-Kyeong; Jang, Jichan; Lee, Jeeyeon; Suh, Young-Ger Conformation-Enabled Total Syntheses of Ohmyungsamycins A and B and Structural Revision of Ohmyungsamycin B. Angewandte Chemie International Edition 2018 57 (12) 3069-3073. DOI: 10.1002/anie.201711286 PMID: 29380472 | ||
