Gassericin B3
AlkaPlorer ID: AK075681
Synonym: None
IUPAC Name: 1-[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]-N-[6-amino-1-[[1-[[1-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CC(NC(=O)C(CS)NC(=O)C(CC1=CN=CN1)NC(=O)C(C)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(=O)NC(CO)C(N)=O
InChI: InChI=1S/C40H67N15O12S/c1-19(2)31(54-35(62)23(8-5-6-10-41)50-38(65)28-9-7-11-55(28)40(67)25(13-29(43)57)49-30(58)14-42)39(66)48-21(4)33(60)51-24(12-22-15-45-18-46-22)36(63)53-27(17-68)37(64)47-20(3)34(61)52-26(16-56)32(44)59/h15,18-21,23-28,31,56,68H,5-14,16-17,41-42H2,1-4H3,(H2,43,57)(H2,44,59)(H,45,46)(H,47,64)(H,48,66)(H,49,58)(H,50,65)(H,51,60)(H,52,61)(H,53,63)(H,54,62)
InChIKey: XUDWNNLGKHGWCV-UHFFFAOYSA-N
Reference
Isolation and partial characterization of bacteriocins produced by Lactobacillus gasseri JCM 2124
PubChem CID: 139586277
COCONUT: CNP0353169
{NPAtlas: NPA011475
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lactobacillus gasseri | Lactobacillus | Lactobacillaceae | Lactobacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 982.1359999999994
TPSA？: 440.2399999999999
MolLogP？: -7.112100000000024
Number of H-Donors: 15
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|