Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033064
PROPERTIES
| NPAID | NPA033064 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | MA026 |
| FORMULA | C84H146N18O23 |
| MOLECULAR WEIGHT (Da) | 1776.1950 |
| ACCURATE MASS (Da) | 1775.0808 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. RtlB026 |
| InChIKey | UUNSGSIHFUBGCM-FVXVFBJDSA-N |
| InChI | InChI=1S/C84H146N18O23/c1-18-20-21-22-23-24-50(103)40-66(108)89-56(35-42(3)4)76(116)94-55(29-34-67(109)110)71(111)90-53(27-32-64(87)106)74(114)100-68(47(13)14)82(122)97-59(38-45(9)10)79(119)92-52(26-31-63(86)105)73(113)99-61-41-125-84(124)70(49(17)19-2)102-75(115)54(28-33-65(88)107)93-77(117)57(36-43(5)6)95-72(112)51(25-30-62(85)104)91-78(118)58(37-44(7)8)96-80(120)60(39-46(11)12)98-83(123)69(48(15)16)101-81(61)121/h42-61,68-70,103H,18-41H2,1-17H3,(H2,85,104)(H2,86,105)(H2,87,106)(H2,88,107)(H,89,108)(H,90,111)(H,91,118)(H,92,119)(H,93,117)(H,94,116)(H,95,112)(H,96,120)(H,97,122)(H,98,123)(H,99,113)(H,100,114)(H,101,121)(H,102,115)(H,109,110)/t49?,50?,51-,52+,53+,54-,55+,56-,57?,58?,59+,60?,61+,68+,69+,70-/m0/s1 |
| SMILES | CCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1COC(=O)[C@H](C(C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Uchiyama, Chihiro; Fukuda, Akane; Mukaiyama, Minagi; Nakazawa, Yoshiki; Kuramochi, Yuka; Muguruma, Kyohei; Arimoto, Mitsue; Ninomiya, Akihiro; Kako, Koichiro; Katsuyama, Yohei; Konno, Sho; Taguchi, Akihiro; Takayama, Kentaro; Taniguchi, Atsuhiko; Nagumo, Yoko; Usui, Takeo; Hayashi, Yoshio Structural Revision of Natural Cyclic Depsipeptide MA026 Established by Total Synthesis and Biosynthetic Gene Cluster Analysis. Angewandte Chemie 2021 133 (16) 8874-8879. | ||
|---|---|---|---|
| DOI | 10.1002/ange.202015193 | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC1COC(=O)C(C(C)CC)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C | Uchiyama, Chihiro; Fukuda, Akane; Mukaiyama, Minagi; Nakazawa, Yoshiki; Kuramochi, Yuka; Muguruma, Kyohei; Arimoto, Mitsue; Ninomiya, Akihiro; Kako, Koichiro; Katsuyama, Yohei; Konno, Sho; Taguchi, Akihiro; Takayama, Kentaro; Taniguchi, Atsuhiko; Nagumo, Yoko; Usui, Takeo; Hayashi, Yoshio Structural Revision of Natural Cyclic Depsipeptide MA026 Established by Total Synthesis and Biosynthetic Gene Cluster Analysis. Angewandte Chemie 2021 133 (16) 8874-8879. DOI: 10.1002/ange.202015193 | ||
| 2 | CCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1COC(=O)[C@H](C(C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O)C(C)C | Uchiyama, Chihiro; Fukuda, Akane; Mukaiyama, Minagi; Nakazawa, Yoshiki; Kuramochi, Yuka; Muguruma, Kyohei; Arimoto, Mitsue; Ninomiya, Akihiro; Kako, Koichiro; Katsuyama, Yohei; Konno, Sho; Taguchi, Akihiro; Takayama, Kentaro; Taniguchi, Atsuhiko; Nagumo, Yoko; Usui, Takeo; Hayashi, Yoshio Structural Revision of Natural Cyclic Depsipeptide MA026 Established by Total Synthesis and Biosynthetic Gene Cluster Analysis. Angewandte Chemie International Edition 2021 60 (16) 8792-8797. DOI: 10.1002/anie.202015193 PMID: 33533101 | ||
