Gageostatin B
AlkaPlorer ID: AK054007
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(3R)-3-hydroxy-9,11-dimethyltridecanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CCC(C)CC(C)CCCCC[C@@H](O)CC(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(=O)O)C(C)C
InChI: InChI=1S/C53H95N7O14/c1-14-34(12)26-35(13)18-16-15-17-19-36(61)27-43(62)54-37(20-21-44(63)64)47(67)55-38(22-29(2)3)48(68)57-40(24-31(6)7)51(71)60-46(33(10)11)52(72)58-41(28-45(65)66)50(70)56-39(23-30(4)5)49(69)59-42(53(73)74)25-32(8)9/h29-42,46,61H,14-28H2,1-13H3,(H,54,62)(H,55,67)(H,56,70)(H,57,68)(H,58,72)(H,59,69)(H,60,71)(H,63,64)(H,65,66)(H,73,74)/t34?,35?,36-,37+,38+,39+,40+,41+,42+,46-/m1/s1
InChIKey: ICQSKMCOEYNHHW-CSCRWWNNSA-N
Reference
Gageostatins A–C, Antimicrobial Linear Lipopeptides from a Marine Bacillus subtilis
PubChem CID: 139587549
LOTUS: LTS0095063
NPASS: NPC480541
{NPAtlas: NPA016032
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1054.3779999999997
TPSA？: 360.26000000000005
MolLogP？: 10.300399999999998
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 32.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |
| Botrytis cinerea | Botrytis cinerea | MIC | 4.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00110 |
| Colletotrichum acutatum | Colletotrichum acutatum | MIC | 4.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00110 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |
| Rhizoctonia solani | Rhizoctonia solani | MIC | 4.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00110 |
| Salmonella enterica subsp. enterica serovar Typhi | Salmonella typhi | MIC | 32.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |