Thuringiensin; 6→3-Lactone
AlkaPlorer ID: AK119168
Synonym: Anhydrothuringiensin
IUPAC Name: 2-[5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-hydroxy-5-oxo-3-phosphonooxyoxolan-2-yl)acetic acid
Structure
SMILES: NC1=NC=NC2=C1N=CN2C1OC(COC2C(CO)OC(OC(C(=O)O)C3OC(=O)C(O)C3OP(=O)(O)O)C(O)C2O)C(O)C1O
InChI: InChI=1S/C22H30N5O18P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(41-19)2-40-13-5(1-28)42-22(11(32)9(13)30)44-16(20(34)35)15-14(45-46(37,38)39)12(33)21(36)43-15/h3-6,8-16,19,22,28-33H,1-2H2,(H,34,35)(H2,23,24,25)(H2,37,38,39)
InChIKey: QPTSMDTUODHBIR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus thuringiensis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 683.4730000000006
TPSA？: 358.2800000000001
MolLogP？: -5.91409999999999
Number of H-Donors: 10
Number of H-Acceptors: 20
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|