Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000839963 | Gold | 3 |
COMPOUND NPA033053
PROPERTIES
| NPAID | NPA033053 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Cutimycin |
| FORMULA | C51H50N14O15S |
| MOLECULAR WEIGHT (Da) | 1131.1110 |
| ACCURATE MASS (Da) | 1130.3301 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cutibacterium |
| ORIGIN SPECIES | acnes |
| InChIKey | JEVSPJYINMJRET-KFSKHFNISA-N |
| InChI | InChI=1S/C51H50N14O15S/c1-13-29-49-65-36(27(12)80-49)46(75)54-21(6)40(69)62-33(18(2)3)43(72)56-23(8)48-64-35(26(11)79-48)45(74)53-20(5)38(67)55-22(7)47-60-31(16-78-47)37-28(50-61-32(17-81-50)42(71)63-34(25(10)66)44(73)59-29)14-15-30(58-37)41(70)52-19(4)39(68)57-24(9)51(76)77/h13-18,25,33-34,66H,4-9H2,1-3,10-12H3,(H,52,70)(H,53,74)(H,54,75)(H,55,67)(H,56,72)(H,57,68)(H,59,73)(H,62,69)(H,63,71)(H,76,77)/b29-13-/t25-,33+,34+/m1/s1 |
| SMILES | C=C(NC(=O)C(=C)NC(=O)C1=NC2=C(C=C1)C1=NC(=CS1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C\C)C1=NC(=C(C)O1)C(=O)NC(=C)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C1=NC(=C(C)O1)C(=O)NC(=C)C(=O)NC(=C)C1=NC2=CO1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Claesen, J., Spagnolo, J. B., Ramos, S. F., Kurita, K. L., Byrd, A. L., Aksenov, A. A., Melnik, A. V., Wong, W. R., Wang, S., Hernandez, R. D., Donia, M. S., Dorrestein, P. C., Kong, H. H., Segre, J. A., Linington, R. G., Fischbach, M. A., & Lemon, K. P. A Cutibacterium acnes antibiotic modulates human skin microbiota composition in hair follicles Science Translational Medicine 2020 12 (570) eaay5445. | ||
|---|---|---|---|
| DOI | 10.1126/scitranslmed.aay5445 | PMID | - |
