Iturin A2
AlkaPlorer ID: AK025703
Synonym: '', 'Iturin A-2'
IUPAC Name: 3-[(3S,6R,9R,12S,16R,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Structure
SMILES: CCCCCCCCCCC[C@@H]1CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](CC2=CC=C(O)C=C2)C(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(=O)N2CCC[C@H]2C(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](CO)C(O)=N1
InChI: InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)58-34(25-40(52)66)45(71)59-35(26-61)46(72)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,72)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,73)(H,59,71)/t28-,30+,31-,32+,33-,34-,35+,36+/m1/s1
InChIKey: HNAPWDKFUSLFFE-HRADWJPASA-N
Reference
Mulberry anthracnose antagonists (iturins) produced by Bacillus amyloliquefaciens RC-2
PubChem CID: 11768304
LOTUS: LTS0083858
SuperNatural Ⅲ: SN0130048-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus amyloliquefaciens | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1043.1899999999996
TPSA？: 465.22000000000014
MolLogP？: 6.609880000000009
Number of H-Donors: 17
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|