Thiocillin I; 34-Deoxy, 26-Me ether
AlkaPlorer ID: AK315988
Synonym: Thiocillin III
IUPAC Name: None
Structure
SMILES: C/C=C1\NC(=O)C(C(C)O)NC(=O)C2=CSC(=N2)C2=CC=C(C3=NC(C4=NC(C(=O)N/C(=C/C)C(=O)NCC(C)O)=CS4)=CS3)N=C2C2=CSC(=N2)C(C(C)OC)NC(=O)C2=CSC(=N2)C(C(C)C)NC(=O)C2=CSC1=N2
InChI: InChI=1S/C49H51N13O9S6/c1-9-25(38(65)50-13-21(5)63)52-39(66)29-16-74-47(57-29)33-19-75-46(59-33)27-12-11-24-37(51-27)28-14-76-49(54-28)36(23(7)71-8)62-42(69)32-18-77-48(58-32)34(20(3)4)60-40(67)31-17-73-45(56-31)26(10-2)53-43(70)35(22(6)64)61-41(68)30-15-72-44(24)55-30/h9-12,14-23,34-36,63-64H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)/b25-9+,26-10-
InChIKey: XNGPWJFNCGGKBM-ZVXVULLBSA-N
Reference
CAS: 59979-03-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus badius | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1158.431
TPSA？: 314.5199999999999
MolLogP？: 6.222100000000006
Number of H-Donors: 8
Number of H-Acceptors: 22
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|