Tiancimycin-H
anthraquinone fused enediyne biosynthesis compound containing an unprecedented cryptic C16 aldehyde group
General
Type : Natural, Antibiotic, Polyketide, Alkyne
Chemical_Nomenclature : (2S,9R,13S)-2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-10-methoxy-12-methylbicyclo[7.3.1]trideca-1(12),10-dien-3,7-diyne-13-carbaldehyde, (2S,5Z,9R,13S)-2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-10-methoxy-12-methylbicyclo[7.3.1]trideca-1(12),5,10-trien-3,7-diyne-13-carbaldehyde
Canonical SMILES : CC1=C2[C@H](C#CCCC#C[C@@H]([C@@H]2C=O)C(=C1)OC)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O || CC1=C2[C@H](C#C\/C=CC#C[C@@H]([C@@H]2C=O)C(=C1)OC)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O
InChI : InChI=1S\/C30H23NO5\/c1-17-15-25(36-2)18-9-5-3-4-6-12-22(26(17)21(18)16-32)31-23-13-14-24(33)28-27(23)29(34)19-10-7-8-11-20(19)30(28)35\/h7-8,10-11,13-16,18,21-22,31,33H,3-4H2,1-2H3\/t18-,21-,22-\/m0\/s1 || InChI=1S\/C30H21NO5\/c1-17-15-25(36-2)18-9-5-3-4-6-12-22(26(17)21(18)16-32)31-23-13-14-24(33)28-27(23)29(34)19-10-7-8-11-20(19)30(28)35\/h3-4,7-8,10-11,13-16,18,21-22,31,33H,1-2H3\/b4-3-\/t18-,21-,22-\/m0\/s1
InChIKey : NLNOIBOHBHXKKN-NYVOZVTQSA-N || JYCGJRIRIPRYLD-LKBBAAGISA-N
Other name(s) : U8L
MW : 477.5
Formula : C30H23NO5
CAS_number :
PubChem : 165416457, 170459455
UniChem : NLNOIBOHBHXKKN-NYVOZVTQSA-N, JYCGJRIRIPRYLD-LKBBAAGISA-N
Target
Structures : 8E19
Families : Tiancimycin-TnmK-Tripeptidase-HIP
References (1)
| Title : Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis - Gui_2022_J.Am.Chem.Soc__ |
| Author(s) : Gui C , Kalkreuter E , Liu YC , Adhikari A , Teijaro CN , Yang D , Chang C , Shen B |
| Ref : Journal of the American Chemical Society , : , 2022 |
| Abstract : |
| PubMedSearch : Gui_2022_J.Am.Chem.Soc__ |
| PubMedID: 36279548 |
| Gene_locus related to this paper: strsp-TnmK1 |