Mycosubtilin
AlkaPlorer ID: AK013692
Synonym: None
IUPAC Name: 3-[6,12,19-tris(2-amino-2-oxoethyl)-22-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(12-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Structure
SMILES: CC(C)CCCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1
InChI: InChI=1S/C51H80N12O14/c1-29(2)13-10-8-6-4-3-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)47(73)59-34(23-30-16-18-32(65)19-17-30)46(72)60-37(27-43(55)69)48(74)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)62-38(28-64)49(75)61-36(26-42(54)68)45(71)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,71)(H,57,70)(H,58,74)(H,59,73)(H,60,72)(H,61,75)(H,62,76)
InChIKey: BLABTWCPHRRLHN-UHFFFAOYSA-N
Reference
Structure de la mycosubtiline, antibiotique isole de Bacillus subtilis
PubChem CID: 156583183
COCONUT: CNP0334486
{NPAtlas: NPA032741
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1085.2709999999995
TPSA？: 436.8299999999999
MolLogP？: -2.445900000000017
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|